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Compound Detail

CHEMBL5269810

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COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5269810
Phase Preclinical
Structure Type MOL
InChI Key CFILOJHRUADYDF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
4.87
ALogP
5
HBA
2
HBD
83.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N5O2
MW 441.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 9.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK2
CHEMBL4225
 IC50 9.09 9.09 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK2 IC50 = 0.822 nM 9.09 Inhibition of human CLK2 34519506

Literature References

PubMed DOI Target Context # Activities
34519506 10.1021/acs.jmedchem.1c00985 Dual specificity protein kinase CLK2 1

Data from ChEMBL 36 via Core Engine