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Compound Detail

CHEMBL6062643

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CC(C)Nc1cncc(-c2ccc3cnc(NC(=O)C4CCN(C(C)C)CC4)cc3c2)n1

Basic Information

ChEMBL ID CHEMBL6062643
Phase Preclinical
Structure Type MOL
InChI Key RLVBJNXKQRRDJQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
4.57
ALogP
6
HBA
2
HBD
83.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N6O
MW 432.57
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.38

Activity Summary

EC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 9.0 9.0 1.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine