Compound Detail
CHEMBL353068
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Basic Information
| ChEMBL ID | CHEMBL353068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIORVGNTSODCHF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
210.3
MW (Da)
2.85
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 4.29 | 4.29 | 51000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 19000.0 | nM | 4.72 | Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrena... | 8632407 |
| Aromatase | IC50 | = | 51000.0 | nM | 4.29 | In vitro inhibitory activity against Cytochrome P450 19A1 using human placental ... | 8632407 |
| Aromatase | IC50 | = | 51050.5 | nM | 4.29 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632407 | 10.1021/jm950377t | Aromatase | 2 |
| 8632407 | 10.1021/jm950377t | Cytochrome P450 11B2, mitochondrial | 1 |
| 8632407 | 10.1021/jm950377t | Thromboxane-A synthase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine