| BioID | bio200020 |
|---|
| Name | LENACAPAVIR |
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| ChEMBL ID | CHEMBL4594438 |
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| Molecular Formula | C39H32ClF10N7O5S2 |
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| Molecular Weight | 968.3 |
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| Molecular Weight (Monoisotopic) | 967.1435 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | GS-6207|GS-714207|GS-CA-2|GS-CA1|GS-CA2|GS-HIV|GS6207|LENACAPAVIR |
|---|
| Smiles | CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(CC(F)(F)F)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)n1)S(C)(=O)=O |
|---|
| Inchi | InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1 |
|---|
| Inchi Key | BRYXUCLEHAUSDY-WEWMWRJBSA-N |
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| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
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| Bioactivities | 5.0 |
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| Np Likeness Score | -0.78 |
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| Records Key | ['LENACAPAVIR', 'LENACAPAVIR', 'LEN', 'GS-6207', 'LENACAPAVIR', '21'] |
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| Records Name | ['LENACAPAVIR', 'LENACAPAVIR', 'Lenacapavir', 'N-((S)-1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide', 'LENACAPAVIR', 'N-((S)-1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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