Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0N5NV
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| Drug Name |
Biaryl compound 2
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| Synonyms |
PMID30107136-Compound-Example9
Click to Show/Hide
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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 |
C52H50Cl2N6O10
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| Canonical SMILES |
CC1=C(C=CC=C1C2=CC=CC(=C2C)COC3=C(C=C(C(=C3)OCC4=CC(=CN=C4)C#N)CNC(C)(CO)C(=O)O)Cl)COC5=C(C=C(C(=C5)OCC6=CC(=CN=C6)C#N)CNC(C)(CO)C(=O)O)Cl
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| InChI |
1S/C52H50Cl2N6O10/c1-31-37(27-69-47-15-45(67-25-35-11-33(17-55)19-57-21-35)39(13-43(47)53)23-59-51(3,29-61)49(63)64)7-5-9-41(31)42-10-6-8-38(32(42)2)28-70-48-16-46(68-26-36-12-34(18-56)20-58-22-36)40(14-44(48)54)24-60-52(4,30-62)50(65)66/h5-16,19-22,59-62H,23-30H2,1-4H3,(H,63,64)(H,65,66)
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| InChIKey |
JQCFAYBBTOJHLG-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | CD80-PD-L1 interaction (CD80/PD-L1 PPI) | Target Info | Inhibitor | [1] |
| PD-1-PD-L1 interaction (PD-1/PD-L1 PPI) | Target Info | Inhibitor | [1] | |
| Target's Patent Info | CD80-PD-L1 interaction (CD80/PD-L1 PPI) | Target's Patent Info | [1] | |
| 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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