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Compound Detail

CHEMBL5927873

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Cc1nnc(-c2ccc3cnc(NC(=O)c4coc(C5CCNCC5)n4)cc3c2)s1

Basic Information

ChEMBL ID CHEMBL5927873
Phase Preclinical
Structure Type MOL
InChI Key FYZGVWRPMYNPKA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
3.77
ALogP
8
HBA
2
HBD
105.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6O2S
MW 420.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.15

Activity Summary

EC50 2 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 7.13 7.13 74.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 6.18 6.18 666.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine