Compound Detail
CHEMBL2177238
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 | CHEMBL2177238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHPVXUVRRPAUIQ-GOSISDBHSA-N |
2
Targets
3
Activities
2
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
389.3
MW (Da)
3.60
ALogP
4
HBA
1
HBD
84.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
EC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 9.0 | % | Macaca mulatta |
| F | 9.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 0.9 | nM | 9.05 | Modulation of Androgen receptor (unknown origin) | 35063736 |
| Androgen receptor | IC50 | = | 9.6 | nM | 8.02 | Binding affinity to androgen receptor by competitive binding assay | 22897611 |
| Progesterone receptor | IC50 | = | 8800.0 | nM | 5.06 | Binding affinity to progesterone receptor by competitive binding assay | 22897611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22897611 | 10.1021/jm300249m | Rattus norvegicus | 13 |
| 22957947 | 10.1021/jm300281x | Rattus norvegicus | 4 |
| 22897611 | 10.1021/jm300249m | Androgen receptor | 3 |
| 22897611 | 10.1021/jm300249m | Glucocorticoid receptor | 1 |
| 22897611 | 10.1021/jm300249m | Estrogen receptor | 1 |
| 22897611 | 10.1021/jm300249m | Progesterone receptor | 1 |
| 22957947 | 10.1021/jm300281x | Rhesus monkey | 1 |
| 35063736 | 10.1016/j.ejmech.2022.114119 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine