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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

258.3

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Discovery of 4-azaindoles as novel inhibitors of c-Met kinase. Bioorg Med Chem Lett. 2009 May 15;19(10):2780-4.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3	Clinical pipeline report, company report or official report of Exelixis (2011).
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
5	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
6	Antitumor Activity of Amivantamab (JNJ-61186372), an EGFR-MET Bispecific Antibody, in Diverse Models of EGFR Exon 20 Insertion-Driven NSCLC. Cancer Discov. 2020 Aug;10(8):1194-1209.
7	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1815).
8	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
9	Beperminogene perplasmid for the treatment of critical limb ischemia. Expert Rev Cardiovasc Ther. 2014 Oct;12(10):1145-56.
10	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7948).