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Compound Detail

CHEMBL6044780

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COCC(=O)Nc1ccc(-c2cc(CN3CCOCC3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6044780
Phase Preclinical
Structure Type MOL
InChI Key CSGSXGSPCKXDBL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
3.32
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O3
MW 391.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.80

Activity Summary

Kd 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAPK/MAK/MRK overlapping kinase
CHEMBL4295983
 Kd 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAPK/MAK/MRK overlapping kinase Kd = 22.0 nM 7.66 Fluorescence Binding Assay: Table 4: Native tryptophan fluorescence experiments ... -

Data from ChEMBL 36 via Core Engine