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Compound Detail

CHEMBL1915446

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CS(=O)(=O)c1ccc(Nc2nc3c(-c4nnc[nH]4)cccc3c3cnccc23)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL1915446
Phase Preclinical
Structure Type MOL
InChI Key KFBFNFWYBBFFDY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.9
MW (Da)
4.37
ALogP
7
HBA
2
HBD
113.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClN6O2S
MW 450.91
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.60

Activity Summary

IC50 2 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 7.58 7.58 26.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 7.36 7.36 44.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21982499 10.1016/j.bmcl.2011.09.059 Serine/threonine-protein kinase pim-1 1
21982499 10.1016/j.bmcl.2011.09.059 Serine/threonine-protein kinase pim-2 1

Data from ChEMBL 36 via Core Engine