Compound Detail
CHEMBL3099686
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 | CHEMBL3099686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYOXKESECMPXNQ-OAHLLOKOSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.7
MW (Da)
2.27
ALogP
5
HBA
0
HBD
67.9
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 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 1.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 17.0 | nM | 7.77 | Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiote... | 24900631 |
| Aromatase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human CYP19 preincubated for 10 mins followed by protein addition ... | 24900631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900631 | 10.1021/ml400324c | Rattus norvegicus | 3 |
| 24900631 | 10.1021/ml400324c | Aromatase | 1 |
| 24900631 | 10.1021/ml400324c | Cytochrome P450 11B2, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine