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Compound Detail

CHEMBL65144

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COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65144
Phase Preclinical
Structure Type MOL
InChI Key WGBUMONGBSKHGZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
5.08
ALogP
4
HBA
1
HBD
64.8
PSA (Ų)
0.59
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35FN2O3
MW 466.60
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.02

Activity Summary

Ki 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 6.03 6.03 945.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 945.0 nM 6.03 In vitro intrinsic binding affinity at platelet activating factor receptor using... 1317924

Literature References

PubMed DOI Target Context # Activities
1317924 10.1021/jm00089a016 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine