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Compound Detail

CHEMBL78137

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CC(C)(C)c1ccc(C2=Cc3ccc(Cl)cc3C3=NCCN23)cc1

Basic Information

ChEMBL ID CHEMBL78137
Phase Preclinical
Structure Type MOL
InChI Key RIUGQGXKSXIENE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.9
MW (Da)
5.21
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.70
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2
MW 336.87
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 4.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 4.39 4.39 40400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7830265 10.1021/jm00002a004 Abelson 8.1 3
7830265 10.1021/jm00002a004 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine