Details of the Drug

General Information of Drug (ID: DM7U491)

• Drug Name: Heparin-Cantithrombin III
• Synonyms: 212391-63-4; PD 166285 dihydrochloride; 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-onedihydrochloride; PD166285/PD-166285; SCHEMBL15106017; CHEMBL3545196; CTK8E7972; DTXSID80432749; MolPort-023-219-121; PD 166285 2HCl; EX-A1369; AKOS024457798; BCP9001063; BCP0726000019; KB-309461; RT-014958; FT-0673536; J-013945; 6-(2,6-Dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one dihydrochloride

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 585.3
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 9
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C26H29Cl4N5O2
  IUPAC Name: 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;dihydrochloride
  Canonical SMILES: CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl.Cl.Cl
  InChI: InChI=1S/C26H27Cl2N5O2.2ClH/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28;;/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31);2*1H
  InChIKey: NADLBPWBFGTESN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9916391
  CAS Number: 212391-63-4
  TTD ID: D04CQG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]

References

• [1] Thrombin inhibitors in acute coronary artery disease. Eur Heart J. 2002 Aug;23(15):1142-4.