Details of the Drug

General Information of Drug (ID: DMTKCAL)

Drug Name

(E)-3-(4-tert-Butyl-phenyl)-N-phenyl-acrylamide

Synonyms

CHEMBL426634; (2E)-3-[4-(tert-butyl)phenyl]-N-phenylprop-2-enamide; AC1NYN2M; (E)-3-(4-tert-Butyl-phenyl)-N-phenyl-acrylamide; SCHEMBL4006434; SCHEMBL4006429; MolPort-006-388-008; AVMIAJAOFXDOSN-SDNWHVSQSA-N; ZINC5903656; STK411584; BDBM50158648; AKOS003298323; 3-(4-tert-butylphenyl)-N-phenylacrylamide; ST50943451; (E)-3-(4-tert-butylphenyl)-N-phenylprop-2-enamide

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): 1

Molecular Weight (mw)

279.4

Logarithm of the Partition Coefficient (xlogp)

5.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C19H21NO
IUPAC Name: (E)-3-(4-tert-butylphenyl)-N-phenylprop-2-enamide
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2
InChI: InChI=1S/C19H21NO/c1-19(2,3)16-12-9-15(10-13-16)11-14-18(21)20-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,21)/b14-11+
InChIKey: AVMIAJAOFXDOSN-SDNWHVSQSA-N

Cross-matching ID

PubChem CID: 5885566
TTD ID: D0Y7QY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of potent, orally available vanilloid receptor-1 antagonists. Structure-activity relationship of N-aryl cinnamides. J Med Chem. 2005 Jan 13;48(1):71-90.