Details of the Drug

General Information of Drug (ID: DMCKJ27)

Drug Name
3-(1H-Pyrrol-3-yl)-propionamide
Synonyms 1H-Pyrrole-3-propanamide; CHEMBL277776; 152509-75-6; 3-(1H-Pyrrol-3-yl)-propionamide; ACMC-20n6gu; CTK0I3006; DTXSID90435928; BDBM50287316
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) 138.17
Topological Polar Surface Area (xlogp) -0.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C7H10N2O
IUPAC Name
3-(1H-pyrrol-3-yl)propanamide
Canonical SMILES
C1=CNC=C1CCC(=O)N
InChI
InChI=1S/C7H10N2O/c8-7(10)2-1-6-3-4-9-5-6/h3-5,9H,1-2H2,(H2,8,10)
InChIKey
TWGRVIPCCGRSNM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10129992
CAS Number
152509-75-6
TTD ID
D01HUQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calpain-2 (CAPN2) TTG5QB7 CAN2_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
Calpain-2 (CAPN2) DTT CAPN2 5.15E-14 0.35 1.04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis of cystamidin a (pyrrole-3-propanamide), a reported calpain inhibitor, Bioorg. Med. Chem. Lett. 6(13):1541-1542 (1996).
2 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
3 An updated patent review of calpain inhibitors (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):17-31.