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Compound Detail

CHEMBL4587256

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C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC(C)(C)CO)nc34)[nH]c21

Basic Information

ChEMBL ID CHEMBL4587256
Phase Preclinical
Structure Type MOL
InChI Key DHZAZLLWSFQYML-SNVBAGLBSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
1.92
ALogP
6
HBA
4
HBD
112.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O3
MW 381.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.27

Activity Summary

IC50 3 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 9.15 9.15 0.7 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 9.05 9.05 0.9 1
Serine/threonine-protein kinase PIM
CHEMBL3559682
IC50 6.9 6.9 127.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27285051 10.1021/acs.jmedchem.6b00610 No relevant target 2
27285051 10.1021/acs.jmedchem.6b00610 Serine/threonine-protein kinase pim-1 1
27285051 10.1021/acs.jmedchem.6b00610 Serine/threonine-protein kinase pim-2 1
27285051 10.1021/acs.jmedchem.6b00610 Serine/threonine-protein kinase PIM 1

Data from ChEMBL 36 via Core Engine