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Compound Detail

CHEMBL573929

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O=c1[nH]c(CNCCc2ccccc2)nc2c1sc1ccc(Br)cc12

Basic Information

ChEMBL ID CHEMBL573929
Phase Preclinical
Structure Type MOL
InChI Key GQYGJJRBTBCMJJ-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.3
MW (Da)
4.23
ALogP
4
HBA
2
HBD
57.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16BrN3OS
MW 414.33
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.47

Activity Summary

Ki 3 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 7.39 7.39 41.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 7.37 7.37 43.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 7.37 7.37 43.0 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