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Compound Detail

CHEMBL5946696

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COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]nc(C)c12

Basic Information

ChEMBL ID CHEMBL5946696
Phase Preclinical
Structure Type MOL
InChI Key NGTVJYAGZDXXJM-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
2.29
ALogP
6
HBA
3
HBD
88.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O4
MW 371.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 10.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 3
CHEMBL1075166
IC50 10.62 10.62 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine