Details of the Drug

General Information of Drug (ID: DM54M6C)

• Drug Name: 2-(2-(2,5-dichlorophenylamino)phenyl)acetic acid
• Synonyms: CHEMBL77981; 2-(2-(2,5-dichlorophenylamino)phenyl)acetic acid; SCHEMBL7166052; JSJQNYIFLKCXRE-UHFFFAOYSA-N; ZINC13809288; BDBM50090679; 2-(2,5-Dichloroanilino)benzeneacetic acid; 2-[(2,5-dichlorophenyl)amino]phenylacetic acid; [2-(2,5-Dichloro-phenylamino)-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); 296.1
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H11Cl2NO2
  IUPAC Name: 2-[2-(2,5-dichloroanilino)phenyl]acetic acid
  Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC(=C2)Cl)Cl
  InChI: InChI=1S/C14H11Cl2NO2/c15-10-5-6-11(16)13(8-10)17-12-4-2-1-3-9(12)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)
  InChIKey: JSJQNYIFLKCXRE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14076674
  ChEBI ID: CHEMBL77981
  TTD ID: D05EMX
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• 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
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.