Details of the Drug

General Information of Drug (ID: DMEP7HO)

Drug Name

MSH-372

Synonyms

MIV-150; MIV-150)

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): 0

Molecular Weight (mw)

368.4

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C19H17FN4O3
IUPAC Name: 1-(5-cyanopyridin-2-yl)-3-[(1R,2R)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea
Canonical SMILES: CCC(=O)C1=C(C(=C(C=C1)F)[C@H]2C[C@H]2NC(=O)NC3=NC=C(C=C3)C#N)O
InChI: InChI=1S/C19H17FN4O3/c1-2-15(25)11-4-5-13(20)17(18(11)26)12-7-14(12)23-19(27)24-16-6-3-10(8-21)9-22-16/h3-6,9,12,14,26H,2,7H2,1H3,(H2,22,23,24,27)/t12-,14+/m0/s1
InChIKey: NKPHEWJJTGPRSL-GXTWGEPZSA-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 Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02033109) Safety, Pharmacokinetics and Acceptability of PC-1005 for Vaginal Use. U.S. National Institutes of Health.
2	WO patent application no. 2004,0290,42, Pyrazole derivatives as reverse transcriptase inhibitors.