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

CHEMBL4547563

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
Cn1nccc1Nc1nccc(-c2ccc3c(c2)C(=O)N(Cc2ccc(Cl)c(F)c2)C3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4547563
Phase Preclinical
Structure Type MOL
InChI Key ZMLUAQUWPDOLDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.9
MW (Da)
4.57
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18ClFN6O
MW 448.89
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 1
CHEMBL4040
 IC50 8.25 8.25 5.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 1 IC50 = 5.6 nM 8.25 Inhibition of ERK2 (unknown origin) using lipid as substrate after 40 mins by AD... 30605831

Literature References

PubMed DOI Target Context # Activities
30605831 10.1016/j.ejmech.2018.12.040 Mitogen-activated protein kinase 1 1

Data from ChEMBL 36 via Core Engine