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

CHEMBL4528315

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
COc1ccc2c3ccnc(C)c3n(CCC(=O)O)c2c1.Cl

Basic Information

ChEMBL ID CHEMBL4528315
Phase Preclinical
Structure Type MOL
InChI Key ALSUAPUBPGXZCM-UHFFFAOYSA-N
Parent Compound CHEMBL4595916
Active Moiety CHEMBL4595916
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.98
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClN2O3
MW 320.78
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.10

Activity Summary

IC50 1 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 5.99 5.99 1020.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32003560 10.1021/acs.jmedchem.9b01379 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine