Compound Detail
CHEMBL1083653
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Basic Information
| ChEMBL ID | CHEMBL1083653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIPGEBKJKOMJSL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.63
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.94 | 7.93 | 11.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 11.45 | nM | 7.94 | Inhibition of aromatase from human placental microsomes | 20568782 |
| Aromatase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendion... | 22861193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20568782 | 10.1021/jm100319h | Aromatase | 1 |
| 20568782 | 10.1021/jm100319h | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 22861193 | 10.1021/jm3004637 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine