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Compound Detail

CHEMBL5859519

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CC(=O)Nc1ccc(-c2cc(CN3CCOCC3)c3ccc(Cl)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5859519
Phase Preclinical
Structure Type MOL
InChI Key FKEJIQUUSYEUEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.9
MW (Da)
4.35
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN3O2
MW 395.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.74

Activity Summary

Kd 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAPK/MAK/MRK overlapping kinase
CHEMBL4295983
 Kd 7.6 7.6 25.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAPK/MAK/MRK overlapping kinase Kd = 25.0 nM 7.6 Fluorescence Binding Assay: Table 4: Native tryptophan fluorescence experiments ... -

Data from ChEMBL 36 via Core Engine