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]
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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
TTD ID: D00KRL

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.