Details of the Drug

General Information of Drug (ID: DMR7OHB)

Drug Name
5-(2-oxoindolin-5-yl)-1H-pyrrole-2-carbonitrile
Synonyms CHEMBL270909
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) 223.23
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H9N3O
IUPAC Name
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrrole-2-carbonitrile
Canonical SMILES
C1C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC1=O
InChI
InChI=1S/C13H9N3O/c14-7-10-2-4-11(15-10)8-1-3-12-9(5-8)6-13(17)16-12/h1-5,15H,6H2,(H,16,17)
InChIKey
TVDRXBFEEAXOTN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24824217
TTD ID
D06DSF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Progesterone receptor (PGR) TTUV8G9 PRGR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) 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
Progesterone receptor (PGR) DTT PGR 3.26E-38 -3.79 -2.5
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design, synthesis, and SAR of new pyrrole-oxindole progesterone receptor modulators leading to 5-(7-fluoro-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-... J Med Chem. 2008 Mar 27;51(6):1861-73.