Details of the Drug

General Information of Drug (ID: DM9O5CH)

• Drug Name: 3-(2-(naphthalen-2-ylmethyl)phenyl)acrylic acid
• Synonyms: CHEMBL423815; 3-(2-(naphthalen-2-ylmethyl)phenyl)acrylic acid; SCHEMBL7922112; SCHEMBL7922115; BDBM50097792; 2-(2-Naphthylmethyl)benzeneacrylic acid; (E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 288.3
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C20H16O2
  IUPAC Name: (E)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
  Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)CC3=CC=CC=C3/C=C/C(=O)O
  InChI: InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
  InChIKey: MOLQZQYMXCCLHS-VAWYXSNFSA-N
• Cross-matching ID:
  PubChem CID: 9817405
  TTD ID: D0Z3XJ

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 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

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.