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Compound Detail

CHEMBL108291

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CC1=NC(C)=C(C(=O)OCCSc2ccccc2)C(C)/C1=C(\O)OC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108291
Phase Preclinical
Structure Type MOL
InChI Key RWGSJJJPLHFLAH-VZCXRCSSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.90
ALogP
6
HBA
1
HBD
68.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO4S
MW 389.52
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 6.04 6.04 912.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 912.7 nM 6.04 Tested for inhibition of [3H]PAF binding to rabbit Platelet activating factor re... 2175357

Literature References

PubMed DOI Target Context # Activities
2175357 10.1021/jm00174a017 Platelet-activating factor receptor 3
2175357 10.1021/jm00174a017 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine