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Compound Detail

CHEMBL134143

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N#CC(=C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)c1cccnc1

Basic Information

ChEMBL ID CHEMBL134143
Phase Preclinical
Structure Type MOL
InChI Key JSIZGZYXULERFB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
5.20
ALogP
3
HBA
0
HBD
57.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25N3O
MW 407.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1433215 10.1021/jm00100a018 Platelet-activating factor receptor 3

Data from ChEMBL 36 via Core Engine