Details of the Drug

General Information of Drug (ID: DM5GLP7)

Drug Name
Ethyl 4-(1-benzyl-1H-indazol-3-yl)benzoate
Synonyms YD-3; CHEMBL125021; SCHEMBL363569; GTPL9458; LPROLPQTWKDPNU-UHFFFAOYSA-N; BDBM50024254; 1-benzyl-3-(4'-ethoxycarbonylphenyl)indazole; ethyl 4-(1-benzyl-1h-indazol-3-yl)-benzoate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 356.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C23H20N2O2
IUPAC Name
ethyl 4-(1-benzylindazol-3-yl)benzoate
Canonical SMILES
CCOC(=O)C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKey
LPROLPQTWKDPNU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10132921
ChEBI ID
CHEMBL125021
TTD ID
D00KRL
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
Proteinase activated receptor 4 (F2RL3) TTD0652 PAR4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and antiplatelet activity of ethyl 4-(1-benzyl-1H-indazol-3-yl)benzoate (YD-3) derivatives. Bioorg Med Chem. 2008 Feb 1;16(3):1262-78.