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Compound Detail

CHEMBL5570123

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CN1CCN(c2ccc(Nc3nccc(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL5570123
Phase Preclinical
Structure Type MOL
InChI Key SQOMOSJFRBLISD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
4.18
ALogP
8
HBA
1
HBD
73.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N8
MW 466.59
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase 17A
CHEMBL4525
IC50 7.29 7.29 51.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase 17A IC50 = 51.0 nM 7.29 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