Details of the Drug

General Information of Drug (ID: DMW7TZV)

Drug Name
Lenacapavir
Synonyms
GS-6207; 2189684-45-3; N-[(1R)-1-[3-[4-Chloro-3-(cyclopropylsulfonylamino)-1-(2,2-difluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2R,4S)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus-1 infection 1C62 Approved [1]
Human immunodeficiency virus infection 1C62 Phase 2/3 [2]
ATC Code
J05AX31: Lenacapavir
J05AX: Other antivirals
J05A: DIRECT ACTING ANTIVIRALS
J05: ANTIVIRALS FOR SYSTEMIC USE
J: ANTIINFECTIVES FOR SYSTEMIC USE
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 958.3
Logarithm of the Partition Coefficient (xlogp) 6.4
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 17
Chemical Identifiers
Formula
C41H36ClF8N7O5S2
IUPAC Name
N-[(1R)-1-[3-[4-chloro-3-(cyclopropylsulfonylamino)-1-(2,2-difluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2R,4S)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide
Canonical SMILES
CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3CC(F)F)NS(=O)(=O)C4CC4)[C@@H](CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C([C@@H]8C[C@@H]8C7(F)F)C(=N6)C(F)F)S(=O)(=O)C
InChI
InChI=1S/C41H36ClF8N7O5S2/c1-40(2,63(3,59)60)11-10-22-4-7-24(25-8-9-28(42)33-36(25)56(17-30(45)46)54-39(33)55-64(61,62)23-5-6-23)34(51-22)29(14-19-12-20(43)15-21(44)13-19)52-31(58)18-57-37-32(35(53-57)38(47)48)26-16-27(26)41(37,49)50/h4,7-9,12-13,15,23,26-27,29-30,38H,5-6,14,16-18H2,1-3H3,(H,52,58)(H,54,55)/t26-,27+,29-/m1/s1
InChIKey
CPCUUUACFKQOHY-IUAQSZDVSA-N
Cross-matching ID
PubChem CID
138059678
UNII
A9A0O6FB4H
DrugBank ID
DB15673
TTD ID
D24GYL
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Capsid p24 (HIV p24) TTTWS2G POL_HV1B1 Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2022. Application Number: 215973.
2 ClinicalTrials.gov (NCT04150068) Study to Evaluate the Safety and Efficacy of Lenacapavir in Combination With an Optimized Background Regimen in Heavily Treatment Experienced Participants Living With HIV-1 Infection With Multidrug Resistance (CAPELLA). U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of Gilead Sciences.