InterPAD - DETAILS

Zoledronic acid, 118072-93-8, Zoledronate, Zometa, Reclast, Aclasta, (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid, (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid, Phosphonic acid, [1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, C5H10N2O7P2, Zoledronic Acid Anhydrous, (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid, ZOL, CGP 42446, Orazol, [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid), Zoledronic acid (INN), Anhydrous Zoledronic Acid, Reclast (TN), Zometa (TN), CHEMBL924, Zoledronic Acid, Anhydrous, DTXSID0042668, CHEBI:46557, [1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid, 70HZ18PH24, [1-HYDROXY-2-(1H-IMIDAZOL-1-YL)-ETHYLIDENE]BISPHOSPHONIC ACID, NSC-721517, NCGC00159521-02, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid, Zoledronic acid [USAN:INN:BAN], Phosphonic acid, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bis-, ZOLEDRONIC ACID [INN], Zomera, 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid, Bisphosphonate 3, Zometa (Novartis), Aclasta and Reclast, zoledronic-acid, UNII-70HZ18PH24, BPH 91, Zoledronic Acid?, ZOL 446, Zoledronic acid, Zoledronate, BIDD:PXR0134, SCHEMBL19054, ZOLEDRONIC ACID [MI], BIDD:GT0292, Zoledronic Acid (Zoledronate), GTPL3177, JMC515594 Compound 55, DTXCID8022668, BDBM12578, ZOLEDRONIC ACID [WHO-DD], HMS2089O09, BCP22750, Tox21_111739, HB0674, MFCD00867791, NSC721517, s1314, STL452893, AKOS005145739, AB07564, AC-1092, CS-1829, DB00399, HS-0091, NSC 721517, NCGC00159521-03, NCGC00159521-04, NCGC00159521-05, NCGC00159521-09, NCGC00159521-18, HY-13777, CAS-118072-93-8, FT-0601384, NS00006387, Z0031, D08689, EN300-117269, H11422, S00092, AB01273947-01, AB01273947-02, AB01273947-03, AB01273947_04, A803876, Q218507, SR-05000001436, Q-201946, SR-05000001436-1, 1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic Acid, Z1501485360, (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonicacid, 1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]-bisphosphonic Acid Hydrate; 2-(Imidazol-1-yl)-1-hydroxyethane-1,1-diphosphonic Acid Hydrate;

No.	Title	Href
1	Enhanced cytotoxicity and apoptosis by thymoquinone in combination with zoledronic acid in hormone- and drug-resistant prostate cancer cell lines. J BUON. 2014 Oct-Dec;19(4):1055-61.	`Click`
2	Synergistic suppression of human breast cancer cells by combination of plumbagin and zoledronic acid In vitro. Acta Pharmacol Sin. 2015 Sep;36(9):1085-98. doi: 10.1038/aps.2015.42. Epub 2015 Aug 3. Erratum in: Acta Pharmacol Sin. 2019 Aug;40(8):1127-1128.	`Click`
3	Targeting apoptosis in the hormone- and drug-resistant prostate cancer cell line, DU-145, by gossypol/zoledronic acid combination. Cell Biol Int. 2009 Nov;33(11):1165-72. doi: 10.1016/j.cellbi.2009.08.006.	`Click`

No.

Title

Href

Enhanced cytotoxicity and apoptosis by thymoquinone in combination with zoledronic acid in hormone- and drug-resistant prostate cancer cell lines. J BUON. 2014 Oct-Dec;19(4):1055-61.

Click

Synergistic suppression of human breast cancer cells by combination of plumbagin and zoledronic acid In vitro. Acta Pharmacol Sin. 2015 Sep;36(9):1085-98. doi: 10.1038/aps.2015.42. Epub 2015 Aug 3. Erratum in: Acta Pharmacol Sin. 2019 Aug;40(8):1127-1128.

Click

Targeting apoptosis in the hormone- and drug-resistant prostate cancer cell line, DU-145, by gossypol/zoledronic acid combination. Cell Biol Int. 2009 Nov;33(11):1165-72. doi: 10.1016/j.cellbi.2009.08.006.

Click

Name	Zoledronic acid
PubChem CID	68740
Molecular Weight	272.09g/mol
Synonyms	Zoledronic acid, 118072-93-8, Zoledronate, Zometa, Reclast, Aclasta, (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid, (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid, Phosphonic acid, [1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, C5H10N2O7P2, Zoledronic Acid Anhydrous, (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid, ZOL, CGP 42446, Orazol, [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid), Zoledronic acid (INN), Anhydrous Zoledronic Acid, Reclast (TN), Zometa (TN), CHEMBL924, Zoledronic Acid, Anhydrous, DTXSID0042668, CHEBI:46557, [1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid, 70HZ18PH24, [1-HYDROXY-2-(1H-IMIDAZOL-1-YL)-ETHYLIDENE]BISPHOSPHONIC ACID, NSC-721517, NCGC00159521-02, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid, Zoledronic acid [USAN:INN:BAN], Phosphonic acid, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bis-, ZOLEDRONIC ACID [INN], Zomera, 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid, Bisphosphonate 3, Zometa (Novartis), Aclasta and Reclast, zoledronic-acid, UNII-70HZ18PH24, BPH 91, Zoledronic Acid?, ZOL 446, Zoledronic acid, Zoledronate, BIDD:PXR0134, SCHEMBL19054, ZOLEDRONIC ACID [MI], BIDD:GT0292, Zoledronic Acid (Zoledronate), GTPL3177, JMC515594 Compound 55, DTXCID8022668, BDBM12578, ZOLEDRONIC ACID [WHO-DD], HMS2089O09, BCP22750, Tox21_111739, HB0674, MFCD00867791, NSC721517, s1314, STL452893, AKOS005145739, AB07564, AC-1092, CS-1829, DB00399, HS-0091, NSC 721517, NCGC00159521-03, NCGC00159521-04, NCGC00159521-05, NCGC00159521-09, NCGC00159521-18, HY-13777, CAS-118072-93-8, FT-0601384, NS00006387, Z0031, D08689, EN300-117269, H11422, S00092, AB01273947-01, AB01273947-02, AB01273947-03, AB01273947_04, A803876, Q218507, SR-05000001436, Q-201946, SR-05000001436-1, 1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic Acid, Z1501485360, (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonicacid, 1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]-bisphosphonic Acid Hydrate; 2-(Imidazol-1-yl)-1-hydroxyethane-1,1-diphosphonic Acid Hydrate;
Drug Type	Small molecule
Formula	C₅H₁₀N₂O₇P₂
SMILES	C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI	1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
InChIKey	XRASPMIURGNCCH-UHFFFAOYSA-N
CAS Number	118072-93-8
ChEMBL ID	CHEMBL924
ChEBI ID	CHEBI:46557
TTD ID	D0VM2L
Drug Bank ID	DB00399
KEGG ID	D08689
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	Thymoquinone, Zoledronic acid
Partner Name	Thymoquinone
Disease Info	[ICD-11: 2C82]	Prostate cancer		Investigative
Biological Phenomena	Induction-->DNA fragmentation
Gene Regulation	Up-regulation	Expression	CASP3	hsa836
Gene Regulation	Up-regulation	Expression	CASP7	hsa840
In Vitro Model	PC-3	Prostate carcinoma	Homo sapiens (Human)	CVCL_0035
In Vitro Model	DU145	Prostate carcinoma	Homo sapiens (Human)	CVCL_0105
Result	TQ and ZA had minimal hematological and non-hematological toxicity profile compared to cytotoxic agents. So, this combination may be an alternative approach for patients who are unable to be treated by conventional treatments because of poor performance status.

Pair Name	Plumbagin, Zoledronic acid
Partner Name	Plumbagin
Disease Info	[ICD-11: 2C60]	Breast cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	BCL2	hsa596
Gene Regulation	Up-regulation	Expression	NOTCH1	hsa4851
In Vitro Model	MDA-MB-231	Breast adenocarcinoma	Homo sapiens (Human)	CVCL_0062
Result	Combination of ZA and PL synergistically suppresses human breast cancer MDA-MB-231SArfp cells in vitro. PL can inhibit ZA-induced activation of the Notch-1 signaling pathway and subsequently reduce the expression of Bcl-2, thus potentiating cancer cell apoptosis.

Pair Name	Gossypol, Zoledronic acid
Partner Name	Gossypol
Disease Info	[ICD-11: 2C82]	Prostate cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Up-regulation	Expression	BAD	hsa572
	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BIRC2	hsa329
	Down-regulation	Expression	BIRC3	hsa330
	Down-regulation	Expression	BIRC5	hsa332
	Down-regulation	Expression	BIRC7	hsa79444
	Up-regulation	Cleavage	CASP3	hsa836
	Up-regulation	Expression	CDKN1B	hsa1027
	Down-regulation	Expression	CLSPN	hsa63967
	Up-regulation	Expression	FAS	hsa355
	Down-regulation	Expression	HMOX1	hsa3162
	Down-regulation	Expression	HSPD1	hsa3329
	Down-regulation	Expression	PON2	hsa5445
	Down-regulation	Expression	TP53	hsa7157
In Vitro Model	DU145	Prostate carcinoma	Homo sapiens (Human)	CVCL_0105
Result	GP significantly enhances the anti-tumor activity of ZA in hormone- and drug-resistant prostate cancer cells by targeting many pivotal apoptosis-related proteins.