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Compound Detail

CHEMBL5860875

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O=C(CCC1CCOCC1)Nc1cc2cc(-c3cncc(F)c3)ccc2cn1

Basic Information

ChEMBL ID CHEMBL5860875
Phase Preclinical
Structure Type MOL
InChI Key ZMNHOQJADRPFLH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
4.58
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FN3O2
MW 379.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.06

Activity Summary

EC50 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 7.77 7.77 17.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 6.22 6.22 602.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine