Details of the Drug

General Information of Drug (ID: DMVQ68F)

• Drug Name: 2-(2-(2-fluorophenylamino)phenyl)acetic acid
• Synonyms: CHEMBL427739; 2-(2-(2-fluorophenylamino)phenyl)acetic acid; SCHEMBL7165042; DWKOQWOOVUATNI-UHFFFAOYSA-N; BDBM50295276; 2-[(2-fluorophenyl)amino]phenylacetic 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); 245.25
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H12FNO2
  IUPAC Name: 2-[2-(2-fluoroanilino)phenyl]acetic acid
  Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=CC=CC=C2F
  InChI: InChI=1S/C14H12FNO2/c15-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-14(17)18/h1-8,16H,9H2,(H,17,18)
  InChIKey: DWKOQWOOVUATNI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 18546352
  TTD ID: D0I8YN

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.