Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09TGX
|
|||
| Former ID |
DCL000298
|
|||
| Drug Name |
Valspodar
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Acute myeloid leukaemia [ICD-11: 2A60] | Discontinued in Phase 3 | [1] | |
| Company |
Novartis
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C63H111N11O12
|
|||
| Canonical SMILES |
CC=CCC(C)C(=O)C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C
|
|||
| InChI |
1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1
|
|||
| InChIKey |
YJDYDFNKCBANTM-QCWCSKBGSA-N
|
|||
| CAS Number |
CAS 121584-18-7
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
13393, 629786, 8616835, 12014683, 14792638, 14939450, 39315469, 47207934, 53787223, 57358436, 80185225, 103756868, 113856125, 123120912, 126682516, 134338954, 134340628, 135029355, 136340329, 137262651, 160870061, 162201859, 163621062, 163686385, 164766082, 184547718, 223440908, 223656435, 226407940, 241376778, 251970981, 252110095, 252157735, 252216124, 252347722
|
|||
| ChEBI ID |
CHEBI:8985
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Coagulation factor Xa (F10) | Target Info | Inhibitor | [2], [3] |
| Multidrug resistance protein (MDR) | Target Info | Modulator | [4] | |
| KEGG Pathway | Complement and coagulation cascades | |||
| Panther Pathway | Blood coagulation | |||
| Pathwhiz Pathway | Coagulation | |||
| Pathway Interaction Database | Beta2 integrin cell surface interactions | |||
| Reactome | Extrinsic Pathway of Fibrin Clot Formation | |||
| Intrinsic Pathway of Fibrin Clot Formation | ||||
| Common Pathway of Fibrin Clot Formation | ||||
| Gamma-carboxylation of protein precursors | ||||
| Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus | ||||
| Removal of aminoterminal propeptides from gamma-carboxylated proteins | ||||
| WikiPathways | Complement and Coagulation Cascades | |||
| Human Complement System | ||||
| PTM: gamma carboxylation, hypusine formation and arylsulfatase activation | ||||
| Blood Clotting Cascade | ||||
| Formation of Fibrin Clot (Clotting Cascade) | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001281) | |||
| REF 2 | Non-hemostatic activity of coagulation factor Xa: potential implications for various diseases. Curr Opin Pharmacol. 2001 Apr;1(2):169-75. | |||
| REF 3 | Novel approaches to the treatment of thrombosis. Trends Pharmacol Sci. 2002 Jan;23(1):25-32. | |||
| REF 4 | Intracellular levels of two cyclosporin derivatives valspodar (PSC 833) and cyclosporin a closely associated with multidrug resistance-modulating activity in sublines of human colorectal adenocarcinoma HCT-15. Jpn J Cancer Res. 2001 Oct;92(10):1116-26. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.