Details of the Drug

General Information of Drug (ID: DMW7PQ8)

Drug Name
PMID18445527C11
Synonyms UNII-0T87WD317S; GTPL5804; 0T87WD317S; GTPL-5804; GTPL 5804; BDBM50373323; 1009082-19-2
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 502.9
Logarithm of the Partition Coefficient (xlogp) 6.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C24H18ClF3N4O3
IUPAC Name
1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Canonical SMILES
CC1=NN(C(=C1)OC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C4=CC=CC=C4Cl
InChI
InChI=1S/C24H18ClF3N4O3/c1-15-14-22(32(31-15)20-8-4-2-6-18(20)25)34-21-9-5-3-7-19(21)30-23(33)29-16-10-12-17(13-11-16)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33)
InChIKey
SAIPZPCGTLOMFE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24958668
CAS Number
1009082-19-2
TTD ID
D0G8KA

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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