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Compound Detail

CHEMBL6063563

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Cn1cc(-c2ccc3cnc(NC(=O)c4cnn(C5CCN(C6CC6)CC5)c4)cc3c2)cn1

Basic Information

ChEMBL ID CHEMBL6063563
Phase Preclinical
Structure Type MOL
InChI Key IBBBJMPGZHBFMI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.88
ALogP
7
HBA
1
HBD
80.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N7O
MW 441.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.42

Activity Summary

EC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 8.7 8.7 2.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 5.78 5.78 1656.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine