Compound Detail
CHEMBL3085491
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Basic Information
| ChEMBL ID | CHEMBL3085491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWVGOVDLTMQAQT-RCMKLKEOSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.06
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | Ki | 6.58 | 6.4475 | 260.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1033 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 260.0 | nM | 6.58 | Competitive inhibition of human aromatase extracted from placental microsomes in... | 26469743 |
| Aromatase | Ki | = | 390.0 | nM | 6.41 | Binding affinity was measured on Cytochrome P450 19A1 | 2231592 |
| Aromatase | Ki | = | 390.0 | nM | 6.41 | Inactivation rate (Ki) for human placental aromatase Cytochrome P450 19A1 | 2918514 |
| Aromatase | Ki | = | 410.0 | nM | 6.39 | Competitive inhibition of binding to human placental aromatase Cytochrome P450 1... | 2918514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2918514 | 10.1021/jm00123a026 | Aromatase | 3 |
| 2231592 | 10.1021/jm00173a001 | Aromatase | 1 |
| 2231592 | 10.1021/jm00173a001 | ADMET | 1 |
| 2918514 | 10.1021/jm00123a026 | ADMET | 1 |
| 26469743 | 10.1016/j.ejmech.2015.09.038 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine