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Compound Detail

CHEMBL19049

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CNC(=O)NCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

Basic Information

ChEMBL ID CHEMBL19049
Phase Preclinical
Structure Type MOL
InChI Key KSGKTSBGSVDRRB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
3.92
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.68
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 C20H21N3O3S
MW 383.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 22.0 nM 7.66 In vitro antiplatelet activity against arachidonic acid induced malondialdehyde ... 8164261

Literature References

PubMed DOI Target Context # Activities
8164261 10.1021/jm00034a017 Oryctolagus cuniculus 1
8164261 10.1021/jm00034a017 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine