Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04ESH
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| Drug Name |
PMID30107136-Compound-Example8
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| Drug Type |
Small molecule immunotherapy
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| Indication | Hepatitis [ICD-11: DB97.Z] | Patented | [1] | |
| Human immunodeficiency virus infection [ICD-11: 1C62; ICD-9: 42] | Patented | [1] | ||
| Infectious disease [ICD-11: 1A00-CA43.1; ICD-10: A00-B99; ICD-9: 001-139] | Patented | [1] | ||
| Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Patented | [1] | ||
| Company |
BRISTOL-MYERS SQUIBB COMPANY
|
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| Structure |
 |
Download2D MOL |
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| Formula |
C41H47ClF2N4O6
|
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| Canonical SMILES |
CC1=C(C=CC=C1C2=C(C(=CC=C2)OCCCN3CCC(C3)(F)F)C)COC4=C(C=C(C(=C4)OCC5=CC(=CN=C5)C#N)CN(C)C(CO)(CO)CO)Cl
|
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| InChI |
1S/C41H47ClF2N4O6/c1-28-32(7-4-8-34(28)35-9-5-10-37(29(35)2)52-14-6-12-48-13-11-41(43,44)24-48)23-54-39-17-38(53-22-31-15-30(18-45)19-46-20-31)33(16-36(39)42)21-47(3)40(25-49,26-50)27-51/h4-5,7-10,15-17,19-20,49-51H,6,11-14,21-27H2,1-3H3
|
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| InChIKey |
KNCHTQJZTIPCIA-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | PD-1-PD-L1 interaction (PD-1/PD-L1 PPI) | Target Info | Inhibitor | [1] |
| Target's Patent Info | PD-1-PD-L1 interaction (PD-1/PD-L1 PPI) | Target's Patent Info | [1] | |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A patent review on PD-1/PD-L1 antagonists: small molecules, peptides, and macrocycles (2015-2018).Expert Opin Ther Pat. 2018 Sep;28(9):665-678. | |||
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