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Compound Detail

CHEMBL5089793

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Nc1ncc(Cl)c2sccc12

Basic Information

ChEMBL ID CHEMBL5089793
Phase Preclinical
Structure Type MOL
InChI Key DWRQGAFGEAHGJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

184.7
MW (Da)
2.53
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H5ClN2S
MW 184.65
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.65

Activity Summary

Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34143631 10.1021/acs.jmedchem.1c00024 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
34143631 10.1021/acs.jmedchem.1c00024 Serine/threonine-protein kinase PAK 4 1

Data from ChEMBL 36 via Core Engine