Details of the Drug

General Information of Drug (ID: DMMIGXO)

• Drug Name: 2-cyclohexylamino-pyrimidine-4-carbonitrile
• Synonyms: 4-Cyano-pyrimidine, 9; 2-(cyclohexylamino)pyrimidine-4-carbonitrile; CHEMBL221804; BDBM19748; 927176-96-3; 4-Pyrimidinecarbonitrile, 2-(cyclohexylamino)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #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: 2-(cyclohexylamino)pyrimidine-4-carbonitrile
  Canonical SMILES: C1CCC(CC1)NC2=NC=CC(=N2)C#N
  InChI: InChI=1S/C11H14N4/c12-8-10-6-7-13-11(15-10)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,13,14,15)
  InChIKey: SOIZAJGZULPDSF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16108885
  TTD ID: D04QHB

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 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

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.