Compound Detail
CHEMBL168444
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Basic Information
| ChEMBL ID | CHEMBL168444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSUQBHJIRSEQES-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
1.96
ALogP
4
HBA
1
HBD
63.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.57 | 4.57 | 26977.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 27000.0 | nM | 4.57 | In vitro inhibitory activity against Cytochrome P450 19A1 using human placental ... | 8632407 |
| Aromatase | IC50 | = | 26977.39 | nM | 4.57 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632407 | 10.1021/jm950377t | Aromatase | 2 |
| 8632407 | 10.1021/jm950377t | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 8632407 | 10.1021/jm950377t | Cytochrome P450 11B2, mitochondrial | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine