Details of the Drug

General Information of Drug (ID: DMGVIXW)

Drug Name
4-cyclohexylamino-pyrimidine-2-carbonitrile
Synonyms 2-Cyano-pyrimidine, 5; 4-(cyclohexylamino)pyrimidine-2-carbonitrile; CHEMBL221591; BDBM19749; 927176-94-1; 2-Pyrimidinecarbonitrile, 4-(cyclohexylamino)-
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) 202.26
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H14N4
IUPAC Name
4-(cyclohexylamino)pyrimidine-2-carbonitrile
Canonical SMILES
C1CCC(CC1)NC2=NC(=NC=C2)C#N
InChI
InChI=1S/C11H14N4/c12-8-11-13-7-6-10(15-11)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,13,14,15)
InChIKey
UWPRHHHJGYCNGK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16108884
ChEBI ID
CHEMBL221591
TTD ID
D06AZJ
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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]
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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 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. J Med Chem. 2007 Feb 22;50(4):591-4.