Details of the Drug

General Information of Drug (ID: DMEA8WP)

Drug Name

5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole

Synonyms

875468-81-8; CHEMBL199982; 5-FLUORO-2-(2-PYRIDYL)-1H-BENZIMIDAZOLE; 1H-Benzimidazole, 6-fluoro-2-(2-pyridinyl)-; 6-fluoro-2-(pyridin-2-yl)-1H-1,3-benzodiazole; 5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole; SCHEMBL124265; DTXSID90470258; MolPort-009-677-335; MolPort-027-941-496; ZINC13679485; BDBM50180735; AKOS010206775; NE40467; PC450144; KB-87704; BC4242268; 5-fluoro-2-pyridin-2-yl-1H-benzoimidazole; TL80090069; US8748618, LD-1-31

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

213.21

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H8FN3
IUPAC Name: 6-fluoro-2-pyridin-2-yl-1H-benzimidazole
Canonical SMILES: C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)F
InChI: InChI=1S/C12H8FN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)
InChIKey: AUSVDSQFCRIAEX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11665659
CAS Number: 875468-81-8
TTD ID: D07PXR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Methionine aminopeptidase 2 (METAP2)	TTZL0OI	MAP2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors, Bioorg. Med. Chem. Lett. 20(14):4038-4044 (2010).