InterPAD - DETAILS

Afatinib, 439081-18-2, 850140-72-6, Tovok, BIBW2992, Tomtovok, BIBW 2992, BIBW-2992, Afatinib (BIBW2992), (S,E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, (E/Z)-Afatinib, afatinibum, BIBW2992 (Tovok), Afatinib free base, NSC-750691, UNII-41UD74L59M, Afatinib, Free Base, (S)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, CHEBI:61390, 41UD74L59M, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-Butenamide, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, CHEMBL1173655, DTXSID20893451, 850140-72-6 (free base), NSC750691, (2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide, S1011, AFATINIB (MART.), AFATINIB [MART.], (S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, (2E)-, (S,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide., 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-, Afatinib [USAN], Afatinib [USAN:INN], MFCD12407405, Afatinib- Bio-X, Afatinib E-Isomer, (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((3S)-tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide; BIBW 2992;, (E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl)-amide, (E)-4-Dimethylamino-but-2-enoic acid-[4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl]-amide, BIBW2992,Afatinib, Afatinib (USAN/INN), AFATINIB [INN], AFATINIB [MI], AFATINIB [VANDF], AFATINIB [WHO-DD], MLS006010000, EX-A065A, GTPL5667, CHEBI:94698, EX-A065, L01XE13, ULXXDDBFHOBEHA-CWDCEQMOSA-N, BCPP000338, DTXCID301323466, BCP01779, BDBM50322823, HY-10261B, NSC799327, Afatinib(cis-trans isomerismtautomers), AKOS015850681, AKOS015904219, AKOS025149636, BCP9000407, CCG-264776, DB08916, EX-8656, NSC-799327, NCGC00185000-01, NCGC00185000-22, NCGC00185000-23, (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3s)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-2-butenamide, (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-[(3S)-tetrahydrofuran-3-yl]oxy-quinazolin-6-yl]-4-(dimethylamino)but-2-enamide, 2-butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)- 6-quinazolinyl)-4-(dimethylamino)-, (2E)-, AC-26079, AC-27018, AM808098, AS-80916, BA164141, DS-14172, SMR004701084, CS-0020030, FT-0651456, FT-0661434, NS00077621, SW219248-1, A15572, D09724, AB01565886_02, EN300-6487482, EN300-19625328, SR-01000941576, J-500781, J-502300, Q4688818, SR-01000941576-1, BRD-K66175015-001-01-7, Z2568727518, (E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6yl)-amide, (R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, (S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide

Name	Afatinib
PubChem CID	10184653
Molecular Weight	485.9g/mol
Synonyms	Afatinib, 439081-18-2, 850140-72-6, Tovok, BIBW2992, Tomtovok, BIBW 2992, BIBW-2992, Afatinib (BIBW2992), (S,E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, (E/Z)-Afatinib, afatinibum, BIBW2992 (Tovok), Afatinib free base, NSC-750691, UNII-41UD74L59M, Afatinib, Free Base, (S)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, CHEBI:61390, 41UD74L59M, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-Butenamide, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, CHEMBL1173655, DTXSID20893451, 850140-72-6 (free base), NSC750691, (2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide, S1011, AFATINIB (MART.), AFATINIB [MART.], (S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, (2E)-, (S,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide., 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-, Afatinib [USAN], Afatinib [USAN:INN], MFCD12407405, Afatinib- Bio-X, Afatinib E-Isomer, (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((3S)-tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide; BIBW 2992;, (E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl)-amide, (E)-4-Dimethylamino-but-2-enoic acid-[4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl]-amide, BIBW2992,Afatinib, Afatinib (USAN/INN), AFATINIB [INN], AFATINIB [MI], AFATINIB [VANDF], AFATINIB [WHO-DD], MLS006010000, EX-A065A, GTPL5667, CHEBI:94698, EX-A065, L01XE13, ULXXDDBFHOBEHA-CWDCEQMOSA-N, BCPP000338, DTXCID301323466, BCP01779, BDBM50322823, HY-10261B, NSC799327, Afatinib(cis-trans isomerismtautomers), AKOS015850681, AKOS015904219, AKOS025149636, BCP9000407, CCG-264776, DB08916, EX-8656, NSC-799327, NCGC00185000-01, NCGC00185000-22, NCGC00185000-23, (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3s)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-2-butenamide, (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-[(3S)-tetrahydrofuran-3-yl]oxy-quinazolin-6-yl]-4-(dimethylamino)but-2-enamide, 2-butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)- 6-quinazolinyl)-4-(dimethylamino)-, (2E)-, AC-26079, AC-27018, AM808098, AS-80916, BA164141, DS-14172, SMR004701084, CS-0020030, FT-0651456, FT-0661434, NS00077621, SW219248-1, A15572, D09724, AB01565886_02, EN300-6487482, EN300-19625328, SR-01000941576, J-500781, J-502300, Q4688818, SR-01000941576-1, BRD-K66175015-001-01-7, Z2568727518, (E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6yl)-amide, (R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, (S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
Drug Type	Small molecule
Formula	C₂₄H₂₅ClFN₅O₃
SMILES	CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
InChI	1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
InChIKey	ULXXDDBFHOBEHA-CWDCEQMOSA-N
CAS Number	850140-72-6
ChEMBL ID	CHEMBL1173655
ChEBI ID	CHEBI:61390
TTD ID	D05UFG
Drug Bank ID	DB08916
KEGG ID	D09724
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Pair Name	Erianin, Afatinib
Partner Name	Erianin
Disease Info	[ICD-11: 2C12]	Hepatocellular carcinoma		Investigative
Biological Phenomena	Inhibition-->Angiogenesis
Gene Regulation	Down-regulation	Phosphorylation	FLT1	hsa2321
	Down-regulation	Phosphorylation	KDR	hsa3791
	Down-regulation	Expression	MMP2	hsa4313
	Down-regulation	Expression	MMP9	hsa4318
	Down-regulation	Expression	PIK3CA	hsa5290
	Down-regulation	Phosphorylation	SRC	hsa6714
	Down-regulation	Phosphorylation	STAT3	hsa6774
	Down-regulation	Expression	VEGFA	hsa7422
In Vitro Model	Hep-G2	Hepatoblastoma	Homo sapiens (Human)	CVCL_0027
In Vivo Model	1×10⁷ HepG2 cells were resuspended in 50% matrigel solution (v/v, saline: matrigel = 1:1) and injected subcutaneously into the left forelimb of each mice.
Result	EBTP/Afa targets VEGF and EGFR signaling pathways in liver cancer cells and tumor vasculature, thereby inhibiting the proliferation, motion and angiogenesis of liver cancer cells. Overall, this study provides a new combined strategy for the clinical treatment of hepatocellular carcinoma.

Pair Name	Celastrol, Afatinib
Partner Name	Celastrol
Disease Info	[ICD-11: 2C25]	Lung cancer		Investigative
Biological Phenomena	Induction-->Paraptosis
In Vitro Model	NCI-H23	Lung adenocarcinoma	Homo sapiens (Human)	CVCL_1547
In Vitro Model	NCI-H292	Lung mucoepidermoid carcinoma	Homo sapiens (Human)	CVCL_0455
Result	These findings suggest that the depletion of intracellular glutathione by quercetin and sulforaphane could strengthen the anti-cancer efficacy of oxaliplatin.

No.	Title	Href
1	Ethoxy-erianin phosphate and afatinib synergistically inhibit liver tumor growth and angiogenesis via regulating VEGF and EGFR signaling pathways. Toxicol Appl Pharmacol. 2022 Mar 1;438:115911. doi: 10.1016/j.taap.2022.115911.	`Click`
2	Celastrol acts synergistically with afatinib to suppress non-small cell lung cancer cell proliferation by inducing paraptosis. J Cell Physiol. 2021 Jun;236(6):4538-4554. doi: 10.1002/jcp.30172.	`Click`