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

CHEMBL5847068

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
NCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(C=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5847068
Phase Preclinical
Structure Type MOL
InChI Key PZIOFOQMOZKMLO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.57
ALogP
4
HBA
3
HBD
100.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O2
MW 334.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myosin light chain kinase family member 4
CHEMBL5426
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myosin light chain kinase family member 4 IC50 = 550.0 nM 6.26 n Vitro Effect Assay: Table 4: Assay for Inhibitory Effect on Myosin Light Chain... -

Data from ChEMBL 36 via Core Engine