Details of the Drug

General Information of Drug (ID: DMTC5VF)

Drug Name

(5-(pyridin-3-yl)furan-2-yl)methanamine

Synonyms

(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE; [5-(pyridin-3-yl)furan-2-yl]methanamine; (5-pyridin-3-ylfuran-2-yl)methanamine; 1-(5-pyridin-3-ylfuran-2-yl)methanamine; CHEMBL178090; CHEBI:41804; (5-Pyridin-3-yl-2-furyl)methylamine; 837376-48-4; 2-Furanmethanamine, 5-(3-pyridinyl)-; SCHEMBL1791769; GTPL8754; BDBM12345; MolPort-022-593-431; ZINC13607134; nicotine 3-heteroaromatic analogue 2a; AKOS022808436; DB07621; compound 39a [PMID: 15634016]; D3G; US8609708, 2; US8609708, 47; F2167-0893

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)

174.2

Logarithm of the Partition Coefficient (xlogp)

0.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H10N2O
IUPAC Name: (5-pyridin-3-ylfuran-2-yl)methanamine
Canonical SMILES: C1=CC(=CN=C1)C2=CC=C(O2)CN
InChI: InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2
InChIKey: LENAVORGWBTPJR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11332763
ChEBI ID: CHEBI:41804
CAS Number: 837376-48-4
DrugBank ID: DB07621
TTD ID: D06QFO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. J Med Chem. 2006 Nov 30;49(24):6987-7001.