Details of the Drug

General Information of Drug (ID: DMN1DWF)

• Drug Name: 3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
• Synonyms: 3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine; CHEMBL538932; 633303-90-9; SCHEMBL3889418; CTK2A9458; DTXSID00621754; XIVJYIWQYBHEBJ-UHFFFAOYSA-N; BDBM50295740; 3-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine; 1H-Pyrrolo[2,3-b]pyridine, 3-(phenylsulfonyl)-

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); 258.3
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H10N2O2S
  IUPAC Name: 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C2C=CC=N3
  InChI: InChI=1S/C13H10N2O2S/c16-18(17,10-5-2-1-3-6-10)12-9-15-13-11(12)7-4-8-14-13/h1-9H,(H,14,15)
  InChIKey: XIVJYIWQYBHEBJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 22028181
  CAS Number: 633303-90-9
  TTD ID: D0S0GT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proto-oncogene c-Met (MET)	TTNDSF4	MET_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
Proto-oncogene c-Met (MET)	DTT	MET	1.08E-03	-0.24	-0.4

References

• [1] Discovery of 4-azaindoles as novel inhibitors of c-Met kinase. Bioorg Med Chem Lett. 2009 May 15;19(10):2780-4.