Compound Detail
CHEMBL159073
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Basic Information
| ChEMBL ID | CHEMBL159073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLTNBMDVMUSXHQ-UHFFFAOYSA-N |
2
Targets
9
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
3.10
ALogP
6
HBA
0
HBD
91.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.4
Ki 1 meas. best 8.98
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | Ki | = | 1.05 | nM | 8.98 | Inhibition constant was determined from Lineweaver-Burke plot | 11262078 |
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human placental microsome cytochrome P450 19A1 aromatase | 11262078 |
| Aromatase | IC50 | = | 39.81 | nM | 7.4 | Inhibition of human placental microsome CYP19 | 16279787 |
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to... | 19072235 |
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of aromatase from human placental microsomes | 20568782 |
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of CYP19 (unknown origin) | - |
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human placental aromatase in presence of [1beta,2beta-3H] testoste... | 26301554 |
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human aromatase using [1beta,2beta3H]-]testosterone as substrate | 31129450 |
| Aromatase | IC50 | = | 39.99 | nM | 7.4 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262078 | 10.1021/jm000955s | Aromatase | 3 |
| 11262078 | 10.1021/jm000955s | Homo sapiens | 2 |
| 11262078 | 10.1021/jm000955s | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 11262078 | 10.1021/jm000955s | ADMET | 1 |
| 16279787 | 10.1021/jm058042r | Aromatase | 1 |
| 19072235 | 10.1021/jm800945c | Aromatase | 1 |
| 20568782 | 10.1021/jm100319h | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 20568782 | 10.1021/jm100319h | Aromatase | 1 |
| - | 10.1039/C2MD20072D | Aromatase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Aromatase | 1 |
| 31129450 | 10.1016/j.ejmech.2019.05.023 | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine