Details of the Drug

General Information of Drug (ID: DM7XIH3)

Drug Name

(E)-N-(4-Phenylthiazol-2-yl) cinnamamide

Synonyms

CHEMBL452100; 2-Cinnamamido-4-phenylthiazole; (2E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide; 1107621-03-3; AC1LEPJR; (E)-N-(4-Phenylthiazol-2-yl) cinnamamide; ZINC60264; WOJRHCOBUKJCAJ-VAWYXSNFSA-N; MolPort-019-760-060; MolPort-001-931-977; HMS1397P15; STK173781; BDBM50255301; N-(4-phenylthiazol-2-yl)cinnamamide; AKOS000523355; MCULE-8934603681; BAS 00417267; ST4016450; 3-Phenyl-N-(4-phenyl-thiazol-2-yl)-acrylamide; AG-690/11629440; 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)acrylamide; F0298-0058; A0793/0037152

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

306.4

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H14N2OS
IUPAC Name: (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
Canonical SMILES: C1=CC=C(C=C1)/C=C/C(=O)NC2=NC(=CS2)C3=CC=CC=C3
InChI: InChI=1S/C18H14N2OS/c21-17(12-11-14-7-3-1-4-8-14)20-18-19-16(13-22-18)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)/b12-11+
InChIKey: WOJRHCOBUKJCAJ-VAWYXSNFSA-N

Cross-matching ID

PubChem CID: 690181
TTD ID: D04ZQJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Poly [ADP-ribose] polymerase 1 (PARP1)	DTT	PARP1	5.01E-05	1.02	2.68

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Design, synthesis, and cytoprotective effect of 2-aminothiazole analogues as potent poly(ADP-ribose) polymerase-1 inhibitors. J Med Chem. 2009 Feb 12;52(3):718-25.