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Compound Detail

CHEMBL5425080

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C[C@@H](O)CNc1nccc(-n2c(CC#N)cnc2-c2ccc3ccccc3c2)n1

Basic Information

ChEMBL ID CHEMBL5425080
Phase Preclinical
Structure Type MOL
InChI Key DILISPNYIVRDBP-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.34
ALogP
7
HBA
2
HBD
99.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N6O
MW 384.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.3 5.3 4960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36343411 10.1016/j.ejmech.2022.114894 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine