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Compound Detail

CHEMBL5942313

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COC(=O)Nc1cc(-c2ccc(OCC(C)(N)CC(C)C)c(Cl)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5942313
Phase Preclinical
Structure Type MOL
InChI Key KPYMRFGAAXFXIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
4.72
ALogP
5
HBA
2
HBD
86.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26ClN3O3
MW 391.90
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 9.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
 IC50 9.17 9.17 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AP2-associated protein kinase 1 IC50 = 0.67 nM 9.17 Kinase Assay: The assays were performed in U-bottom 384-well plates. The final a... -

Data from ChEMBL 36 via Core Engine