Details of the Drug

General Information of Drug (ID: DMDSUR2)

• Drug Name: 2-(2-(2-fluorophenoxy)phenyl)acetic acid
• Synonyms: CHEMBL29804; 2-(2-(2-fluorophenoxy)phenyl)acetic acid; BDBM50295281; ZINC28767088; AKOS022663030; [2-(2-Fluoro-phenoxy)-phenyl]-acetic 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); 246.23
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H11FO3
  IUPAC Name: 2-[2-(2-fluorophenoxy)phenyl]acetic acid
  Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)OC2=CC=CC=C2F
  InChI: InChI=1S/C14H11FO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1-8H,9H2,(H,16,17)
  InChIKey: LAVKHAMQQVBXLL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 13409348
  TTD ID: D0T8RL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Interleukin-8 (IL8)	TTCTE1G	IL8_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
Interleukin-8 (IL8)	DTT	CXCL8	9.05E-17	2.09	3.08

References

• [1] Structure-Activity Relationship of novel phenylacetic CXCR1 inhibitors. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4026-30.