Compound Detail
CHEMBL95109
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Basic Information
| ChEMBL ID | CHEMBL95109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEQHTTKNYWNYDK-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.00
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.22 | 6.914 | 60.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of aromatase in human placental microsomes assessed as inhibition of ... | 21497425 |
| Aromatase | IC50 | = | 90.0 | nM | 7.05 | In vitro inhibition of [1,2,6,7-3H]androstenedione binding to Aromatase of human... | 15380230 |
| Aromatase | IC50 | = | 91.0 | nM | 7.04 | Inhibition of aromatase activity in human placental microsomes | 12270163 |
| Aromatase | IC50 | = | 91.0 | nM | 7.04 | Inhibition of aromatase in human placental microsomes assessed as inhibition of ... | 21497425 |
| Aromatase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of aromatase in human placental microsomes assessed as inhibition of ... | 21497425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21497425 | 10.1016/j.ejmech.2011.03.043 | Aromatase | 6 |
| 12270163 | 10.1016/s0960-894x(02)00565-6 | Aromatase | 3 |
| 15380230 | 10.1016/j.bmcl.2004.07.090 | Aromatase | 2 |
Data from ChEMBL 36 via Core Engine