Details of the Drug

General Information of Drug (ID: DMXSRPH)

• Drug Name: Macrocycle derivative 14
• Synonyms: PMID26161698-Compound-7
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 309.4
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H19N5O
  IUPAC Name: 7-oxa-10,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),3,5,15(22),16,18-heptaene
  Canonical SMILES: C1CNCCOC2=CC=CC(=C2)C3=CN=C4N3N=C(C=C4)NC1
  InChI: InChI=1S/C17H19N5O/c1-3-13-11-14(4-1)23-10-9-18-7-2-8-19-16-5-6-17-20-12-15(13)22(17)21-16/h1,3-6,11-12,18H,2,7-10H2,(H,19,21)
  InChIKey: LGJSILJEEDDVAZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 136644752
  TTD ID: D03OIA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 8 (CDK8)	TTBJR4L	CDK8_HUMAN	Inhibitor	[1]

References

• [1] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.