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Compound Detail

CHEMBL127324

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CCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127324
Phase Preclinical
Structure Type MOL
InChI Key WYDJGULVPULAKE-UHFFFAOYSA-M
Parent Compound CHEMBL1180472
Active Moiety CHEMBL1180472
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.8
MW (Da)
6.98
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H51IN2O4
MW 630.65
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 0.24

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 140.0 nM 6.85 Inhibitory activity expressed as the concentration required to inhibit platelet-... 1992139

Literature References

PubMed DOI Target Context # Activities
1992139 10.1021/jm00105a058 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine