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Compound Detail

CHEMBL5196626

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Cc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN4CCCCC4)ccc3c12

Basic Information

ChEMBL ID CHEMBL5196626
Phase Preclinical
Structure Type MOL
InChI Key ONJMNOASLKCPIX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
4.34
ALogP
3
HBA
2
HBD
61.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O2
MW 375.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 8.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NUAK family SNF1-like kinase 1
CHEMBL5784
IC50 8.32 8.32 4.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NUAK family SNF1-like kinase 1 IC50 = 4.8 nM 8.32 Inhibition of NUAK1 (unknown origin) 33356242

Literature References

PubMed DOI Target Context # Activities
33356242 10.1021/acs.jmedchem.0c00533 NUAK family SNF1-like kinase 1 1

Data from ChEMBL 36 via Core Engine