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Compound Detail

CHEMBL3632741

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Cc1cc(F)ccc1Nc1ncnc2sc(C(=O)O)c(C)c12

Basic Information

ChEMBL ID CHEMBL3632741
Phase Preclinical
Structure Type MOL
InChI Key ZGSDVEBXWRCHHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.89
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12FN3O2S
MW 317.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.33

Activity Summary

Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26408454 10.1016/j.ejmech.2015.09.008 MAP kinase-interacting serine/threonine-protein kinase 2 1
26408454 10.1016/j.ejmech.2015.09.008 MV4-11 1
26408454 10.1016/j.ejmech.2015.09.008 Mus musculus 1
26408454 10.1016/j.ejmech.2015.09.008 MAP kinase-interacting serine/threonine-protein kinase 1 1

Data from ChEMBL 36 via Core Engine