Details of the Drug

General Information of Drug (ID: DMQ2D09)

Drug Name

3-(4-chloro-2-cyclohexylphenoxy)propanoic acid

Synonyms

CHEMBL247544; 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid; CTK7J4510; BDBM50213910

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)

282.76

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H19ClO3
IUPAC Name: 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid
Canonical SMILES: C1CCC(CC1)C2=C(C=CC(=C2)Cl)OCCC(=O)O
InChI: InChI=1S/C15H19ClO3/c16-12-6-7-14(19-9-8-15(17)18)13(10-12)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)
InChIKey: ZHWIAECJQUFYPY-UHFFFAOYSA-N

Cross-matching ID

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 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 D2 receptor 2 (PTGDR2)	DTT	PTGDR2	6.11E-02	-0.15	-0.25

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4347-50.