Details of the Drug

General Information of Drug (ID: DM8APLN)

• Drug Name: 1-(phenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine
• Synonyms: 1-(Phenylsulfonyl)-4-azaindole; 677302-44-2; CHEMBL556118; 1-(phenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine; SCHEMBL3705420; HGOGRVVSSAWHTO-UHFFFAOYSA-N; BDBM50295729; ZINC42923799; AKOS032961360; KB-3354225

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); 2.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H10N2O2S
  IUPAC Name: 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=N3
  InChI: InChI=1S/C13H10N2O2S/c16-18(17,11-5-2-1-3-6-11)15-10-8-12-13(15)7-4-9-14-12/h1-10H
  InChIKey: HGOGRVVSSAWHTO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 45270766
  TTD ID: D0U4JW

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.