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Compound Detail

CHEMBL5568383

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CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4ccc(C=O)cc4)c3c2)c1

Basic Information

ChEMBL ID CHEMBL5568383
Phase Preclinical
Structure Type MOL
InChI Key YNLZITIRTUSLKT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.82
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N4O2
MW 422.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 7.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK2
CHEMBL4225
IC50 7.99 7.99 10.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38500250 10.1021/acs.jmedchem.3c02092 Dual specificity protein kinase CLK2 1
38500250 10.1021/acs.jmedchem.3c02092 Dual specificity protein kinase CLK3 1
38500250 10.1021/acs.jmedchem.3c02092 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine