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Compound Detail

CHEMBL19092

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C/N=C(/NC)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

Basic Information

ChEMBL ID CHEMBL19092
Phase Preclinical
Structure Type MOL
InChI Key RTQNJXIWXIWJQK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.11
ALogP
5
HBA
2
HBD
67.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O2S
MW 382.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 6.01 6.01 970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 970.0 nM 6.01 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