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Compound Detail

CHEMBL5570247

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O=C(NC1CCNCC1)c1ccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cc1

Basic Information

ChEMBL ID CHEMBL5570247
Phase Preclinical
Structure Type MOL
InChI Key XVTZPZOUYBJNEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
3.91
ALogP
8
HBA
3
HBD
108.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N8O
MW 494.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.36

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase 17A
CHEMBL4525
IC50 6.5 6.5 316.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase 17A IC50 = 316.0 nM 6.5 Inhibition of STK17A (unknown origin) in presence of ATP 38894933

Literature References

PubMed DOI Target Context # Activities
38894933 10.1021/acsmedchemlett.4c00125 Serine/threonine-protein kinase 17A 1

Data from ChEMBL 36 via Core Engine