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]
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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

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]

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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.