Compound Detail
CHEMBL41761
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Basic Information
| ChEMBL ID | CHEMBL41761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTIGTACSUNMYAA-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.63
ALogP
3
HBA
0
HBD
22.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.4 | 7.394 | 40.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of CYP19 | 16380254 |
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of aromatase (unknown origin) | 26301554 |
| Aromatase | IC50 | = | 41.0 | nM | 7.39 | In vitro inhibition of human Cytochrome P450 19A1 | 10091679 |
| Aromatase | IC50 | = | 41.0 | nM | 7.39 | Inhibition of cytochrome P450 19A1 of human placental microsomes with [1-beta,2b... | 12699753 |
| Aromatase | IC50 | = | 41.02 | nM | 7.39 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091679 | 10.1016/s0960-894x(98)00737-9 | Aromatase | 2 |
| 12699753 | 10.1016/s0960-894x(03)00182-3 | Aromatase | 2 |
| 10091679 | 10.1016/s0960-894x(98)00737-9 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 16380254 | 10.1016/j.bmcl.2005.11.099 | Aromatase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine