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
Structure
3D MOL is unavailable 2D MOL
#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
ChEBI ID
CHEMBL255724
TTD ID
D0W8WZ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.