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Compound Detail

CHEMBL6056650

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Cn1cncc1-c1ccc2cnc(NC(=O)c3cnn(C4CC4)c3)cc2c1

Basic Information

ChEMBL ID CHEMBL6056650
Phase Preclinical
Structure Type MOL
InChI Key NVRXYMKAPJZIEB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.42
ALogP
6
HBA
1
HBD
77.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6O
MW 358.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.14

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 5.78 5.78 1655.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine