Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5879765

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)Nc1ccc(-c2cc(CN3CCCCC3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5879765
Phase Preclinical
Structure Type MOL
InChI Key BCYRMAHAZKHXRV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
4.85
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O
MW 359.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.43

Activity Summary

Kd 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAPK/MAK/MRK overlapping kinase
CHEMBL4295983
 Kd 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAPK/MAK/MRK overlapping kinase Kd = 2.0 nM 8.7 Fluorescence Binding Assay: Table 4: Native tryptophan fluorescence experiments ... -

Data from ChEMBL 36 via Core Engine