Compound Detail
CHEMBL93828
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Basic Information
| ChEMBL ID | CHEMBL93828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAOQXQRTKZYREH-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.78
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.77
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 170.0 | nM | 6.77 | In vitro inhibitory concentration against Aromatase was determined using [1-beta... | 1895288 |
| Aromatase | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibitory concentration against Aromatase was determined using [1-beta... | 1895288 |
| Aromatase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human placental microsome CYP19 | 20413308 |
| Aromatase | IC50 | = | 199.99 | nM | 6.7 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
| Aromatase | IC50 | = | 210.0 | nM | 6.68 | In vitro inhibitory concentration against Aromatase was determined using [1-beta... | 1895288 |
| Aromatase | IC50 | = | 2000.0 | nM | 5.7 | In vitro inhibition of rat ovarian aromatase cytochrome P450 19A1 | 1895288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1895288 | 10.1021/jm00113a004 | Aromatase | 8 |
| 1895288 | 10.1021/jm00113a004 | Rattus norvegicus | 4 |
| 20413308 | 10.1016/j.bmcl.2010.03.113 | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine