Details of the Drug

General Information of Drug (ID: DMX09KI)

• Drug Name: CRT0066101

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 411.3
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 6
  Hydrogen Bond Donor Count; 5
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C18H24Cl2N6O
  IUPAC Name: 2-[4-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-(1-methylpyrazol-4-yl)phenol;dihydrochloride
  Canonical SMILES: CC[C@H](CNC1=NC(=NC=C1)C2=C(C=CC(=C2)C3=CN(N=C3)C)O)N.Cl.Cl
  InChI: InChI=1S/C18H22N6O.2ClH/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13;;/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23);2*1H/t14-;;/m1../s1
  InChIKey: CXYCRYGNFKDPRH-FMOMHUKBSA-N
• Cross-matching ID:
  PubChem CID: 136664697
  TTD ID: D03HQE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase D (PRKD1)	TTSLUMT	KPCD1_HUMAN	Inhibitor	[2]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8048).
• [2] Protein kinase D as a potential new target for cancer therapy. Biochim Biophys Acta. 2010 Dec;1806(2):183-92.