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Compound Detail

CHEMBL5574287

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OCc1c[nH]c2cc3cnccc3cc12

Basic Information

ChEMBL ID CHEMBL5574287
Phase Preclinical
Structure Type MOL
InChI Key DUJQPIQIMIZEKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
2.21
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O
MW 198.22
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness 0.05

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase haspin
CHEMBL1075163
IC50 6.09 6.09 819.0 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