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Compound Detail

CHEMBL5783038

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Cc1cc(Br)ccc1OC[C@H](CC(C)C)NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5783038
Phase Preclinical
Structure Type MOL
InChI Key IDNKBPGJDGKPCT-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.3
MW (Da)
5.08
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.74
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28BrNO3
MW 386.33
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 9.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
 IC50 9.38 9.38 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AP2-associated protein kinase 1 IC50 = 0.42 nM 9.38 AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... -

Data from ChEMBL 36 via Core Engine