Compound Detail
CHEMBL4743411
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 | CHEMBL4743411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDMSQVUSXYEOFO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
551.9
MW (Da)
7.00
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 8.18 | 8.11 | 6.6 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 50.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 59.0 | % | Rattus norvegicus |
| F | 75.0 | % | Rattus norvegicus |
| F | 59.0 | % | Rattus norvegicus |
| T1/2 | 5.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 6.6 | nM | 8.18 | In Vitro Test of Inhibition of Human FP Receptor Activity: For the characterizat... | - |
| Prostaglandin F2-alpha receptor | IC50 | = | 7.8 | nM | 8.11 | In Vitro Test of Inhibition of Human FP Receptor Activity: For the characterizat... | - |
| Prostaglandin F2-alpha receptor | IC50 | = | 7.9 | nM | 8.1 | Antagonist activity at human FPR expressed in human Chem-1 cells assessed as inh... | 32969660 |
| Prostaglandin F2-alpha receptor | IC50 | = | 9.0 | nM | 8.05 | Antagonist activity at human FPR expressed in human Chem-1 cells assessed as inh... | 32969660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32969660 | 10.1021/acs.jmedchem.0c00834 | Unchecked | 12 |
| 32969660 | 10.1021/acs.jmedchem.0c00834 | ADMET | 6 |
| 32969660 | 10.1021/acs.jmedchem.0c00834 | Cytochrome P450 3A4 | 2 |
| 32969660 | 10.1021/acs.jmedchem.0c00834 | No relevant target | 2 |
| 32969660 | 10.1021/acs.jmedchem.0c00834 | Prostaglandin F2-alpha receptor | 2 |
Data from ChEMBL 36 via Core Engine