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Compound Detail

CHEMBL140919

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CC(=O)N1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1

Basic Information

ChEMBL ID CHEMBL140919
Phase Preclinical
Structure Type MOL
InChI Key BUXBWYJPEXONLX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
4.18
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN2O
MW 326.83
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 4.55 4.55 28000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1671420 10.1021/jm00105a069 Platelet-activating factor receptor 1
1671420 10.1021/jm00105a069 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine