Details of the Drug

General Information of Drug (ID: DMGAR9Y)

Drug Name

BIT225

Synonyms

BIT-225; BIT225; 917909-71-8; SCHEMBL3109704; CHEMBL1242296; WVROWPPEIMRGAB-UHFFFAOYSA-N; ZINC43151503; 2-Naphthalenecarboxamide, N-(aminoiminomethyl)-5-(1-methyl-1H-pyrazol-4-yl)-; SB16851; 5-(1-methyl-1H-pyrazol-4-yl)-2-naphthoylguanidine

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

293.32

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H15N5O
IUPAC Name: N-(diaminomethylidene)-5-(1-methylpyrazol-4-yl)naphthalene-2-carboxamide
Canonical SMILES: CN1C=C(C=N1)C2=CC=CC3=C2C=CC(=C3)C(=O)N=C(N)N
InChI: InChI=1S/C16H15N5O/c1-21-9-12(8-19-21)13-4-2-3-10-7-11(5-6-14(10)13)15(22)20-16(17)18/h2-9H,1H3,(H4,17,18,20,22)
InChIKey: WVROWPPEIMRGAB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 12004418
CAS Number: 917909-71-8
TTD ID: D0W6LW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Protease (HIV PR)	TT5FNQT	POL_HV1B1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2011 Pipeline of Biotron.