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Compound Detail

CHEMBL6029680

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Cc1ncc(-c2ccc3cnc(NC(=O)CN4CCCOCC4)cc3c2)s1

Basic Information

ChEMBL ID CHEMBL6029680
Phase Preclinical
Structure Type MOL
InChI Key WOPBYAZGDCKRNR-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.33
ALogP
6
HBA
1
HBD
67.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O2S
MW 382.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.75

Activity Summary

EC50 3 meas. best 8.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 8.16 8.16 6.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 7.92 7.92 12.0 1
Proto-oncogene Wnt-1
CHEMBL1255129
EC50 5.59 5.59 2544.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine