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Compound Detail

CHEMBL154205

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154205
Phase Preclinical
Structure Type MOL
InChI Key LEXXOCXMBVMUNG-UHFFFAOYSA-M
Parent Compound CHEMBL1181058
Active Moiety CHEMBL1181058
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.7
MW (Da)
6.78
ALogP
3
HBA
0
HBD
50.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H45IN2O3
MW 608.61
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 6.02 6.02 950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 950.0 nM 6.02 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

Data from ChEMBL 36 via Core Engine