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Compound Detail

CHEMBL146878

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COc1ccccc1CCC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1

Basic Information

ChEMBL ID CHEMBL146878
Phase Preclinical
Structure Type MOL
InChI Key LHPQNDQSCKNLAA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.62
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O2
MW 392.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 15.0 nM 7.82 Concentration required to inhibit PAF-induced maximum platelet aggregation in ra... 8558517

Literature References

PubMed DOI Target Context # Activities
8558517 10.1021/jm950555i Mus musculus 2
8558517 10.1021/jm950555i Oryctolagus cuniculus 1
8558517 10.1021/jm950555i Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine