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Compound Detail

CHEMBL332566

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CC(=O)N1CCC(=C2c3ccc(Cl)cc3C=Cc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL332566
Phase Preclinical
Structure Type MOL
InChI Key KEFXZIMBZTZSPQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.9
MW (Da)
4.66
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN2O
MW 350.85
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 420.0 nM 6.38 In vitro antagonist activity, determined by 50% inhibition of PAF-induced platel... 9934454

Literature References

PubMed DOI Target Context # Activities
9934454 10.1016/s0960-894x(98)00626-x Homo sapiens 1

Data from ChEMBL 36 via Core Engine