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Compound Detail

CHEMBL5954552

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COCC(C)(C)NC[C@H](O)COc1cccc2[nH]nc(C)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5954552
Phase Preclinical
Structure Type MOL
InChI Key IVHLKOQACLFVLG-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
1.63
ALogP
5
HBA
3
HBD
79.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N3O3
MW 307.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 10.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 3
CHEMBL1075166
 IC50 10.72 10.72 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G protein-coupled receptor kinase 3 IC50 = 0.019 nM 10.72 Binding Assay: ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite ... -

Data from ChEMBL 36 via Core Engine