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Compound Detail

CHEMBL5788174

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CN1CCN(C(=O)C2CCC(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL5788174
Phase Preclinical
Structure Type MOL
InChI Key LYTBFSXOMIMCTF-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
3.15
ALogP
6
HBA
1
HBD
83.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N6O2
MW 460.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.56

Activity Summary

EC50 5 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 8.85 8.85 1.4 2
Glycogen synthase kinase-3 beta
CHEMBL262
EC50 7.16 7.16 69.0 2
Proto-oncogene Wnt-1
CHEMBL1255129
EC50 5.53 5.53 2949.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine