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Compound Detail

CHEMBL30928

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NC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1

Basic Information

ChEMBL ID CHEMBL30928
Phase Preclinical
Structure Type MOL
InChI Key GQOMQGJDQPEAEN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.7
MW (Da)
5.08
ALogP
5
HBA
2
HBD
107.5
PSA (Ų)
0.39
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H41N3O4
MW 507.68
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.06

Activity Summary

IC50 1 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 5.97 5.97 1067.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 1067.0 nM 5.97 Inhibitory activity against platelet aggregation, induced by arachidonic acid in... 8496908

Literature References

PubMed DOI Target Context # Activities
8496908 10.1021/jm00062a013 Homo sapiens 1

Data from ChEMBL 36 via Core Engine