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Compound Detail

CHEMBL5933226

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CN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)co2)CC1

Basic Information

ChEMBL ID CHEMBL5933226
Phase Preclinical
Structure Type MOL
InChI Key AYGOYMVCKXWGGA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.68
ALogP
7
HBA
1
HBD
89.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6O2
MW 416.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.29

Activity Summary

EC50 2 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 7.82 7.82 15.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 5.49 5.49 3242.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine