Compound Detail
CHEMBL4466871
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
Basic Information
| ChEMBL ID | CHEMBL4466871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVRLCSQKFNRTCC-HSZRJFAPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.7
MW (Da)
3.74
ALogP
5
HBA
3
HBD
93.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Kd 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.75 | 6.75 | 180.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase D CHEMBL1697657 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 180.0 | nM | 6.75 | Binding affinity to recombinant human CypD K175I mutant (44 to 207 residues) exp... | 31635932 |
| Peptidyl-prolyl cis-trans isomerase D | IC50 | = | 190.0 | nM | 6.72 | Displacement of fluorescein labelled cyclosporine A derivative from human recomb... | 31635932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31635932 | 10.1016/j.bmcl.2019.126717 | Peptidyl-prolyl cis-trans isomerase D | 2 |
| 31635932 | 10.1016/j.bmcl.2019.126717 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine