Details of the Drug

General Information of Drug (ID: DMORD8S)

Drug Name

(5-phenylfuran-2-yl)methanamine

Synonyms

(5-phenylfuran-2-yl)methanamine; 39170-18-8; 2-Furanmethanamine, 5-phenyl-; 5-phenylfurfurylamine; AC1Q53ZI; SCHEMBL720013; (5-phenyl-2-furyl)methylamine; CHEMBL214859; CTK7E5186; BDBM12363; MolPort-004-306-048; 1-(5-phenyl-2-furyl)methanamine; ZINC14949858; nicotine 3-heteroaromatic analogue 22; AKOS000143046; MCULE-3484411839; AJ-65506; EN300-49879

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)

173.21

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H11NO
IUPAC Name: (5-phenylfuran-2-yl)methanamine
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(O2)CN
InChI: InChI=1S/C11H11NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2
InChIKey: HQHHWOJYOUTZHZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11993871
CAS Number: 39170-18-8
TTD ID: D0YQ8U

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.