Details of the Drug

General Information of Drug (ID: DM906JK)

Drug Name
Pyrrolidine-1-carbonitrile
Synonyms
Pyrrolidine-1-carbonitrile; 1530-88-7; 1-Pyrrolidinecarbonitrile; 1-Cyanopyrrolidine; N-Cyanopyrrolidine; CHEMBL262697; QJRYYOWARFCJQZ-UHFFFAOYSA-N; pyrrolidinecarbonitrile; cyanopyrrolidine; Cyano-Pyrrolidine; NSC44225; EINECS 216-234-3; Tetramethylenecyanamide; AC1L2KEM; AC1Q4SLA; 1-pyrrolidine carbonitrile; CTK0I1775; DTXSID90165192; MolPort-000-145-877; ZINC1676633; KS-00002AX2; NSC-44225; 4756AD; BDBM50095495; SBB059310; AKOS006227753; MCULE-2010942719; PS-9344; CJ-27397; AN-49391; KB-65041; FT-0607667; ST51044369; P2337; A827637
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) 96.13
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C5H8N2
IUPAC Name
pyrrolidine-1-carbonitrile
Canonical SMILES
C1CCN(C1)C#N
InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
InChIKey
QJRYYOWARFCJQZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73737
CAS Number
1530-88-7
TTD ID
D00FGA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cathepsin K (CTSK) TTDZN01 CATK_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
Cathepsin K (CTSK) DTT CTSK 2.85E-01 -1.14 -2.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Acyclic cyanamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett. 2005 Jun 15;15(12):3039-43.