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Compound Detail

CHEMBL5571678

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CC(C)NC(=O)c1cccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)c1

Basic Information

ChEMBL ID CHEMBL5571678
Phase Preclinical
Structure Type MOL
InChI Key FDKWYDYDKPGCRN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
4.57
ALogP
7
HBA
2
HBD
95.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N7O
MW 453.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase 17A
CHEMBL4525
IC50 6.84 6.84 144.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase 17A IC50 = 144.0 nM 6.84 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