Compound Detail
CHEMBL328217
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Basic Information
| ChEMBL ID | CHEMBL328217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMJQCRYAFOMMKI-GXDHUFHOSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.30
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.05 | 5.05 | 8892.0 | 3 |
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 4.23 | 4.23 | 58800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 8900.0 | nM | 5.05 | In vitro inhibitory concentration against human placental Cytochrome P450 19A wa... | 1895288 |
| Aromatase | IC50 | = | 8912.51 | nM | 5.05 | Inhibition of human placental microsome CYP19 | 16279787 |
| Aromatase | IC50 | = | 8892.01 | nM | 5.05 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
| Macrophage migration inhibitory factor | IC50 | = | 58800.0 | nM | 4.23 | Inhibition of human recombinant MIF ketonase activity using phenylpyruvate as su... | 36587420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1895288 | 10.1021/jm00113a004 | Aromatase | 2 |
| 36587420 | 10.1016/j.ejmech.2022.115050 | Macrophage migration inhibitory factor | 2 |
| 16279787 | 10.1021/jm058042r | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine