Details of the Drug

General Information of Drug (ID: DM4XWME)

Drug Name

3-(2-cinnamylphenyl)acrylic acid

Synonyms

3-(2-cinnamylphenyl)acrylic acid; CHEMBL376282; SCHEMBL585953

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)

264.3

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H16O2
IUPAC Name: (E)-3-[2-[(E)-3-phenylprop-2-enyl]phenyl]prop-2-enoic acid
Canonical SMILES: C1=CC=C(C=C1)/C=C/CC2=CC=CC=C2/C=C/C(=O)O
InChI: InChI=1S/C18H16O2/c19-18(20)14-13-17-11-5-4-10-16(17)12-6-9-15-7-2-1-3-8-15/h1-11,13-14H,12H2,(H,19,20)/b9-6+,14-13+
InChIKey: LDBYEQVSQBZSEH-BDXQXIFWSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin E2 receptor EP2 (PTGER2)	TT1ZAVI	PE2R2_HUMAN	Inhibitor	[1]
Prostaglandin E2 receptor EP3 (PTGER3)	TTPNGDE	PE2R3_HUMAN	Inhibitor	[1]
Prostaglandin E2 receptor EP4 (PTGER4)	TT79WV3	PE2R4_HUMAN	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

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
Prostaglandin E2 receptor EP2 (PTGER2)	DTT	PTGER2	2.77E-06	1.15	1.37

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Comparison between two classes of selective EP(3) antagonists and their biological activities. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5639-42.