Details of the Drug

General Information of Drug (ID: DM15YM7)

• Drug Name: 2-(4-chloro-2-cycloheptylphenoxy)acetic acid
• Synonyms: CHEMBL398126; 2-(4-chloro-2-cycloheptylphenoxy)acetic acid; SCHEMBL4875122; JEPDINCGXLHLDF-UHFFFAOYSA-N; BDBM50213919; (4-Chloro-2-cycloheptylphenoxy)acetic acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 282.76
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H19ClO3
  IUPAC Name: 2-(4-chloro-2-cycloheptylphenoxy)acetic acid
  Canonical SMILES: C1CCCC(CC1)C2=C(C=CC(=C2)Cl)OCC(=O)O
  InChI: InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
  InChIKey: JEPDINCGXLHLDF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11514705
  TTD ID: D07GCA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin D2 receptor 2 (PTGDR2)	TTQDMX5	PD2R2_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 D2 receptor 2 (PTGDR2)	DTT	PTGDR2	6.11E-02	-0.15	-0.25

References

• [1] 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett. 2009 Aug 15;19(16):4794-8.