Compound Detail
CHEMBL4750520
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Basic Information
| ChEMBL ID | CHEMBL4750520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQQHDLAKUJOGRV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.3
MW (Da)
3.09
ALogP
7
HBA
2
HBD
105.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.16 | 6.965 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 70.0 | nM | 7.16 | Agonist activity at recombinant hexa-His-tagged THRbeta LBD (148 to 410 residues... | 32768645 |
| Unchecked | EC50 | = | 170.0 | nM | 6.77 | Agonist activity at recombinant hexa-His-tagged THRalpha LBD (202 to 461 residue... | 32768645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32768645 | 10.1016/j.bmcl.2020.127465 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine