InterPAD - DETAILS

dactolisib, 915019-65-7, NVP-BEZ235, BEZ235, NVP-BEZ 235, 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile, BEZ-235, NVPBEZ235, BEZ 235, NVP-BEZ-235, NVP BEZ235, BEZ235 (NVP-BEZ235, Dactolisib), RTB101, RTB-101, RUJ6Z9Y0DT, NSC-751249, CHEBI:71952, 915019-65-7 (free base), 2-Methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile, S1009, 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile, BEZ235 (NVP-BEZ235), NVP-BEZ235-NX, 2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile., 2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile, Dactolisib [USAN], Dactolisib [USAN:INN], UNII-RUJ6Z9Y0DT, 2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile, Kinome_2911, CT-BEZ, Dactolisib (BEZ235), Dactolisib; BEZ-235, DACTOLISIB [INN], Dactolisib (USAN/INN), Nvp-bez235, free base, mTOR Inhibitor, BEZ235, DACTOLISIB [WHO-DD], NVP-BEZ235?, SCHEMBL143623, GTPL7950, CHEMBL1879463, BDBM92862, AMY2877, DTXSID10238599, EX-A404, BCPP000344, HMS3244G21, HMS3244G22, HMS3244H21, HMS3672E19, BCP00216, MFCD10565944, NSC751249, NSC755807, NSC800085, AKOS005217097, BCP9000397, CCG-207981, CS-0080, DB11651, ES-0038, NSC 751249, NSC-755807, NSC-800085, PB26555, 2-methyl-2-[3-methyl-2-oxo-8-(3-quinolinyl)-1-imidazo[4,5-c]quinolinyl]propanenitrile, Dactolisib (BEZ235, NVP-BEZ235), NCGC00187481-01, NCGC00187481-02, NCGC00187481-04, NCGC00187481-05, NCGC00187481-06, NCGC00187481-15, 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile, 2-methyl-2-(4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-1h-imidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile, AC-25486, HY-50673, FT-0658563, NS00071714, BEZ235 , NVP-BEZ235, EN300-60135, D10552, J-509915, Q4835503, BRD-K12184916-001-01-4, Z329731510, 1028385-31-0, 2-Methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)phenyl)propionitrile, 2-Methyl-2-(4-{3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl}phenyl)propanenitrile, 2-methyl-2-[4-[3-methyl-2-oxo-8-(3-quinolyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile, 2-METHYL-2-{4-[3-METHYL-2-OXO-8-(QUINOLIN-3-YL)-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-1-YL]PHENYL}PROPANENITRILE, 4-[2,3-Dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4, 5-c]quinolin-1-yl]-.alpha.,.alpha.-dimethylbenzeneacetonitrile, Benzeneacetonitrile, 4-(2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo(4,5-c)quinolin-1-yl)-alpha,alpha-dimethyl-

Name	BEZ235
PubChem CID	11977753
Molecular Weight	469.5g/mol
Synonyms	dactolisib, 915019-65-7, NVP-BEZ235, BEZ235, NVP-BEZ 235, 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile, BEZ-235, NVPBEZ235, BEZ 235, NVP-BEZ-235, NVP BEZ235, BEZ235 (NVP-BEZ235, Dactolisib), RTB101, RTB-101, RUJ6Z9Y0DT, NSC-751249, CHEBI:71952, 915019-65-7 (free base), 2-Methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile, S1009, 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile, BEZ235 (NVP-BEZ235), NVP-BEZ235-NX, 2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile., 2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile, Dactolisib [USAN], Dactolisib [USAN:INN], UNII-RUJ6Z9Y0DT, 2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile, Kinome_2911, CT-BEZ, Dactolisib (BEZ235), Dactolisib; BEZ-235, DACTOLISIB [INN], Dactolisib (USAN/INN), Nvp-bez235, free base, mTOR Inhibitor, BEZ235, DACTOLISIB [WHO-DD], NVP-BEZ235?, SCHEMBL143623, GTPL7950, CHEMBL1879463, BDBM92862, AMY2877, DTXSID10238599, EX-A404, BCPP000344, HMS3244G21, HMS3244G22, HMS3244H21, HMS3672E19, BCP00216, MFCD10565944, NSC751249, NSC755807, NSC800085, AKOS005217097, BCP9000397, CCG-207981, CS-0080, DB11651, ES-0038, NSC 751249, NSC-755807, NSC-800085, PB26555, 2-methyl-2-[3-methyl-2-oxo-8-(3-quinolinyl)-1-imidazo[4,5-c]quinolinyl]propanenitrile, Dactolisib (BEZ235, NVP-BEZ235), NCGC00187481-01, NCGC00187481-02, NCGC00187481-04, NCGC00187481-05, NCGC00187481-06, NCGC00187481-15, 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile, 2-methyl-2-(4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-1h-imidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile, AC-25486, HY-50673, FT-0658563, NS00071714, BEZ235 , NVP-BEZ235, EN300-60135, D10552, J-509915, Q4835503, BRD-K12184916-001-01-4, Z329731510, 1028385-31-0, 2-Methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)phenyl)propionitrile, 2-Methyl-2-(4-{3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl}phenyl)propanenitrile, 2-methyl-2-[4-[3-methyl-2-oxo-8-(3-quinolyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile, 2-METHYL-2-{4-[3-METHYL-2-OXO-8-(QUINOLIN-3-YL)-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-1-YL]PHENYL}PROPANENITRILE, 4-[2,3-Dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4, 5-c]quinolin-1-yl]-.alpha.,.alpha.-dimethylbenzeneacetonitrile, Benzeneacetonitrile, 4-(2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo(4,5-c)quinolin-1-yl)-alpha,alpha-dimethyl-
Drug Type	Small molecule
Formula	C₃₀H₂₃N₅O
SMILES	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5
InChI	1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
InChIKey	JOGKUKXHTYWRGZ-UHFFFAOYSA-N
CAS Number	915019-65-7
ChEMBL ID	CHEMBL1879463
ChEBI ID	CHEBI:71952
TTD ID	D0VG0D
Drug Bank ID	DB11651
KEGG ID	D10552
Toxicity	Organism	Test Type	Route(Dose)
Structure			Download 2D MOL 3D MOL

Pair Name	Shikonin, BEZ235
Partner Name	Shikonin
Disease Info	[ICD-11: 2C25]	Lung cancer		Investigative
Gene Regulation	Down-regulation	Phosphorylation	AKT1	hsa207
	Down-regulation	Expression	CD44	hsa960
	Up-regulation	Phosphorylation	MAPK8	hsa5599
	Down-regulation	Expression	NANOG	hsa79923
	Up-regulation	Cleavage	PARP1	hsa142
	Down-regulation	Expression	POU5F1	hsa5460
	Down-regulation	Expression	PROM1	hsa8842
	Down-regulation	Phosphorylation	RPS6KB1	hsa6198
In Vitro Model	A-549	Lung adenocarcinoma	Homo sapiens (Human)	CVCL_0023
Result	We found that low doses shikonin and dual PI3K-mTOR inhibitor (BEZ235) have a synergistic effect that inhibits the spheroid formation from chemoresistant lung cancer sublines. Inhibiting the proliferation of lung cancer stem cells is believed to reduce the recurrence of lung cancer; therefore, shikonin's anti-drug resistance and anti-cancer stem cell activities make it a highly interesting molecule for future combined lung cancer therapy.