Details of the Drug

General Information of Drug (ID: DM7AXRF)

• Drug Name: PMID18445527C67
• Synonyms: GTPL5805; BDBM50373304

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 494.6
  Logarithm of the Partition Coefficient (xlogp); 8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C31H34N4O2
  IUPAC Name: 1-(4-cyclohexylphenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea
  Canonical SMILES: CCC1=CC=CC=C1N2C(=CC(=N2)C)OC3=CC=CC=C3NC(=O)NC4=CC=C(C=C4)C5CCCCC5
  InChI: InChI=1S/C31H34N4O2/c1-3-23-11-7-9-15-28(23)35-30(21-22(2)34-35)37-29-16-10-8-14-27(29)33-31(36)32-26-19-17-25(18-20-26)24-12-5-4-6-13-24/h7-11,14-21,24H,3-6,12-13H2,1-2H3,(H2,32,33,36)
  InChIKey: BLOWXIFVYOKSMX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24743975
  TTD ID: D0W8WZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
P2Y purinoceptor 1 (P2RY1)	TTA93TL	P2RY1_HUMAN	Antagonist	[1]

References

• [1] P2Y1 receptor antagonists as novel antithrombotic agents. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3338-43.