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Compound Detail

CHEMBL5910604

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Cn1cc(-c2ccc3cnc(NC(=O)[C@H]4CC[C@@H](N5CCOCC5)CC4)cc3c2)cn1

Basic Information

ChEMBL ID CHEMBL5910604
Phase Preclinical
Structure Type MOL
InChI Key XAKZFQZFGKCPNZ-LMTLIKQPSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.46
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O2
MW 419.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.59

Activity Summary

EC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 8.89 8.89 1.3 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine