Details of the Drug

General Information of Drug (ID: DM5OHIY)

• Drug Name: BPKDi

Indication

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

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 380.5
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C21H28N6O
  IUPAC Name: 2-[2-(cyclohexylamino)pyridin-4-yl]-6-piperazin-1-ylpyridine-4-carboxamide
  Canonical SMILES: C1CCC(CC1)NC2=NC=CC(=C2)C3=NC(=CC(=C3)C(=O)N)N4CCNCC4
  InChI: InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
  InChIKey: XNWDRALEEPGBHB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46901383
  TTD ID: D0F2SA

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	[1]

References

• [1] Protein kinase D as a potential new target for cancer therapy. Biochim Biophys Acta. 2010 Dec;1806(2):183-92.