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Compound Detail

CHEMBL6019076

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CN1CCC(C(=O)Nc2cc3cc(-c4ccc(CO)nc4)ccc3cn2)CC1

Basic Information

ChEMBL ID CHEMBL6019076
Phase Preclinical
Structure Type MOL
InChI Key YJHAPABRJLZBQB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.07
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O2
MW 376.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.86

Activity Summary

EC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 8.52 8.52 3.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 6.16 6.16 698.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine