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Compound Detail

CHEMBL5740373

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O=C(Nc1cc2cc(-c3cccnn3)ccc2cn1)N1CCOCC1

Basic Information

ChEMBL ID CHEMBL5740373
Phase Preclinical
Structure Type MOL
InChI Key BCSZVYQEWMTVFY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.56
ALogP
5
HBA
1
HBD
80.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O2
MW 335.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.68

Activity Summary

EC50 2 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 6.91 6.91 123.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 6.07 6.07 859.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine