Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0N2GC
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| Former ID |
DIB007877
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| Drug Name |
BMS-753493
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| Synonyms |
Epofolate; Epothilone folate conjugate; BMS-493; BMS-748285 folate conjugate, Bristol-Myers Squibb; Targeted epothilone-folate conjugate (Endocyte technology, cancer), BMS; Targeted epothilone-folate conjugate (Endocyte technology, cancer), Bristol-Myers Squibb
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Phase 1/2 | [1], [2] | |
| Company |
Bristol-Myers Squibb Co
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| Structure |
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Download2D MOL
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| Formula |
C67H92N16O22S3
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| Canonical SMILES |
CC1CCCC2C(N2CCOC(=O)OCCSSCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C3=CC=C(C=C3)NCC4=CN=C5C(=N4)C(=O)NC(=N5)N)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC6=CSC(=N6)C)C
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| InChI |
1S/C67H92N16O22S3/c1-32-9-7-11-45-46(26-47(33(2)23-38-30-106-35(4)74-38)105-52(90)27-48(84)67(5,6)55(92)34(3)54(32)91)83(45)19-20-103-66(102)104-21-22-107-108-31-44(63(100)101)80-60(96)43(25-51(88)89)79-58(94)40(10-8-18-71-64(68)69)77-59(95)42(24-50(86)87)76-49(85)17-16-41(62(98)99)78-57(93)36-12-14-37(15-13-36)72-28-39-29-73-56-53(75-39)61(97)82-65(70)81-56/h12-15,23,29-30,32,34,40-48,54,72,84,91H,7-11,16-22,24-28,31H2,1-6H3,(H,76,85)(H,77,95)(H,78,93)(H,79,94)(H,80,96)(H,86,87)(H,88,89)(H,98,99)(H,100,101)(H4,68,69,71)(H3,70,73,81,82,97)/b33-23+/t32-,34+,40-,41-,42-,43-,44-,45+,46-,47-,48-,54-,83?/m0/s1
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| InChIKey |
TURJYGRXEJIBGT-OCOMGVANSA-N
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| CAS Number |
CAS 958646-17-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
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| Target(s) | Folate receptor alpha (FOLR1) | Target Info | Modulator | [3] |
| KEGG Pathway | Endocytosis | |||
| Reactome | COPII (Coat Protein 2) Mediated Vesicle Transport | |||
| Cargo concentration in the ER | ||||
| WikiPathways | Folate Metabolism | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2641). | |||
| REF 2 | ClinicalTrials.gov (NCT00550017) A Phase 1/2 Study of Epofolate (BMS-753493) in Subjects With Advanced Cancer (Schedule 2). U.S. National Institutes of Health. | |||
| REF 3 | A phase I pharmacokinetic and safety analysis of epothilone folate (BMS-753493), a folate receptor targeted chemotherapeutic agent in humans with advanced solid tumors. Invest New Drugs. 2015 Apr;33(2):321-31. | |||
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