Details of the Drug

General Information of Drug (ID: DM1JBD8)

• Drug Name: OC-000459
• Synonyms: OC-1768; OC-2125; OC-2184; OC-459; OC-499; ODC-9101; CRTH2 antagonists (asthma/allergy), Oxagen

Indication

Disease Entry	ICD 11	Status	REF
Allergy	4A80-4A85	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 348.4
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H17FN2O2
  IUPAC Name: 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
  Canonical SMILES: CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3
  InChI: InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
  InChIKey: FATGTHLOZSXOBC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11462174
  ChEBI ID: CHEMBL560993
  CAS Number: 851723-84-7
  UNII: 04XB9TB8OL
  DrugBank ID: DB11900
  TTD ID: D0X7EG
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• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Allergy
• ICD Disease Classification: 4A80-4A85

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] ClinicalTrials.gov (NCT01056783) Proof of Concept Study of OC000459 in Eosinophilic Esophagitis. U.S. National Institutes of Health.
• [2] Anti-eosinophil activity and clinical efficacy of the CRTH2 antagonist OC000459 in eosinophilic esophagitis. Allergy. 2013 Mar;68(3):375-85.