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Compound Detail

CHEMBL5869074

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O=C(Nc1cc2cc(-c3cnccn3)ccc2cn1)C1CC(N2CCOCC2)C1

Basic Information

ChEMBL ID CHEMBL5869074
Phase Preclinical
Structure Type MOL
InChI Key FWWXBNGNLPJBDN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
2.74
ALogP
6
HBA
1
HBD
80.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O2
MW 389.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.22

Activity Summary

EC50 2 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 7.7 7.7 20.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 6.55 6.55 283.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine