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

CHEMBL6005155

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(CN3CCOCC3)c3ccc(C#N)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6005155
Phase Preclinical
Structure Type MOL
InChI Key VDYYVNHJRNDKDO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.56
ALogP
5
HBA
1
HBD
78.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O2
MW 386.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.79

Activity Summary

Kd 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAPK/MAK/MRK overlapping kinase
CHEMBL4295983
 Kd 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAPK/MAK/MRK overlapping kinase Kd = 3.0 nM 8.52 Fluorescence Binding Assay: Table 4: Native tryptophan fluorescence experiments ... -

Data from ChEMBL 36 via Core Engine