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

CHEMBL4758498

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(C)c1cc(Oc2c(Cl)cc(NC(C)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758498
Phase Preclinical
Structure Type MOL
InChI Key NMQHHLWLAVRNJY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.3
MW (Da)
3.85
ALogP
8
HBA
2
HBD
115.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19Cl2N5O4
MW 440.29
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.24

Activity Summary

EC50 2 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.47 6.215 340.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 340.0 nM 6.47 Agonist activity at recombinant hexa-His-tagged THRalpha LBD (202 to 461 residue... 32768645
Unchecked EC50 = 1110.0 nM 5.96 Agonist activity at recombinant hexa-His-tagged THRbeta LBD (148 to 410 residues... 32768645

Literature References

PubMed DOI Target Context # Activities
32768645 10.1016/j.bmcl.2020.127465 Unchecked 3

Data from ChEMBL 36 via Core Engine