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Compound Detail

CHEMBL154536

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2CC)C(C)=O)cc1OC.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154536
Phase Preclinical
Structure Type MOL
InChI Key NTBZUTFZNXYJIQ-UHFFFAOYSA-M
Parent Compound CHEMBL1181068
Active Moiety CHEMBL1181068
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

525.8
MW (Da)
7.27
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H49IN2O4
MW 652.66
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 160.0 nM 6.8 Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasma 8496938

Literature References

PubMed DOI Target Context # Activities
8496938 10.1021/jm00057a008 Platelet-activating factor receptor 2
8496938 10.1021/jm00057a008 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine