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Compound Detail

CHEMBL583273

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CN(C)Cc1nc2c(sc3ccc(-c4ccccc4)cc32)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL583273
Phase Preclinical
Structure Type MOL
InChI Key KSFKMCQSTBWUED-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.87
ALogP
4
HBA
1
HBD
49.0
PSA (Ų)
0.62
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 C19H17N3OS
MW 335.43
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.42

Activity Summary

Ki 3 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 9.52 9.52 0.3 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 8.4 8.4 4.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19842661 10.1021/jm900943h Serine/threonine-protein kinase pim-1 1
19842661 10.1021/jm900943h Serine/threonine-protein kinase pim-2 1
19842661 10.1021/jm900943h Serine/threonine-protein kinase pim-3 1

Data from ChEMBL 36 via Core Engine