Details of the Drug

General Information of Drug (ID: DM1TQ7N)

• Drug Name: I-5
• Synonyms: SB-409513; 2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID; I-5; 2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid; AC1L9LHU; 4-arylmaleimide deriv. 6-z; CHEMBL156987; BDBM8269; SCHEMBL10059345; HMS3303B04; HMS3305M22; DB01793; NCGC00241937-01; AB01092116-01; 2-(3-Carboxy-4-chlorophenylamino)-3-(3-chlorophenyl)maleimide; 2-chloro-5-[[4-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic 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); 377.2
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H10Cl2N2O4
  IUPAC Name: 2-chloro-5-[[4-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid
  Canonical SMILES: C1=CC(=CC(=C1)Cl)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)Cl)C(=O)O
  InChI: InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
  InChIKey: ONVZFCHLOZUXRP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 448008
  DrugBank ID: DB01793
  TTD ID: D02OPH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_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
Glycogen synthase kinase-3 beta (GSK-3B)	DTT	GSK3B	1.26E-01	-0.23	-0.77

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.