Details of the Drug

General Information of Drug (ID: DMRBJ4V)

Drug Name

[3-(Biphenyl-4-yloxy)-propyl]-dimethyl-amine

Synonyms

CHEMBL132091; [3-(Biphenyl-4-yloxy)-propyl]-dimethyl-amine; N,N-dimethyl-3-(4-phenylphenoxy)propan-1-amine; AC1L9UWB; SCHEMBL10679594; ZINC4842179; BDBM50133286

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)

255.35

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H21NO
IUPAC Name: N,N-dimethyl-3-(4-phenylphenoxy)propan-1-amine
Canonical SMILES: CN(C)CCCOC1=CC=C(C=C1)C2=CC=CC=C2
InChI: InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3
InChIKey: ITTYRYJIHNHJBL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 501375
TTD ID: D0R1EO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lanosterol synthase (LSS)	TT7O8ZA	ERG7_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Oxidosqualene cyclase inhibitors as antimicrobial agents. J Med Chem. 2003 Sep 25;46(20):4240-3.