Details of the Drug

General Information of Drug (ID: DMOFT1V)

Drug Name
C-2507
Synonyms L-0008708100; L-870810; L-870812; L-900564; HIV integrase inhibitors, Merck & Co; Integric acid, Merck & Co
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
2		 Molecular Weight 502.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 15
Chemical Identifiers
Formula
C11H20F6N2O7S3
IUPAC Name
4-piperidin-1-ylbutane-1-sulfonic acid;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
Canonical SMILES
C1CCN(CC1)CCCCS(=O)(=O)O.C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H19NO3S.C2HF6NO4S2/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-9H2,(H,11,12,13);9H
InChIKey
IMVWFEMFPIUJGS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56973024
TTD ID
D0C1WL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Integrase (HIV IN) TT5FH9Y POL_HV1B1 Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Repositioning HIV-1 integrase inhibitors for cancer therapeutics: 1,6-naphthyridine-7-carboxamide as a promising scaffold with drug-like properties. J Med Chem. 2012 Nov 26;55(22):9492-509.
2 Elvitegravir: a new HIV integrase inhibitor. Antivir Chem Chemother. 2009 Oct 19;20(2):79-85.