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Compound Detail

CHEMBL5569713

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c1ccc(-c2c[nH]c3cc4cnccc4cc23)cc1

Basic Information

ChEMBL ID CHEMBL5569713
Phase Preclinical
Structure Type MOL
InChI Key JVYZNTURNUEHAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
4.38
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2
MW 244.30
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase haspin
CHEMBL1075163
IC50 6.32 6.32 482.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38320389 10.1016/j.bmc.2024.117619 Serine/threonine-protein kinase haspin 3
38320389 10.1016/j.bmc.2024.117619 Dual specificity protein kinase CLK1 2
38320389 10.1016/j.bmc.2024.117619 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 2
38320389 10.1016/j.bmc.2024.117619 CDK9/cyclin T1 2
38320389 10.1016/j.bmc.2024.117619 Glycogen synthase kinase-3 beta 2
38320389 10.1016/j.bmc.2024.117619 Casein kinase I isoform epsilon 2
38320389 10.1016/j.bmc.2024.117619 Cyclin-dependent kinase 5/CDK5 activator 1 2
38320389 10.1016/j.bmc.2024.117619 Serine/threonine-protein kinase pim-1 2

Data from ChEMBL 36 via Core Engine