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Compound Detail

CHEMBL18876

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CCOC(=O)/C=C/c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

Basic Information

ChEMBL ID CHEMBL18876
Phase Preclinical
Structure Type MOL
InChI Key QZLKGPOATZVWDO-BUHFOSPRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
5.07
ALogP
6
HBA
0
HBD
57.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO4S
MW 395.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

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