Compound Detail
CHEMBL101947
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Basic Information
| ChEMBL ID | CHEMBL101947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQUXBKUKXDWZLA-QKBRSHRXSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
4.68
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2533 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 1100.0 | nM | 5.96 | Binding affinity was measured on Cytochrome P450 19A1 | 2231592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2231592 | 10.1021/jm00173a001 | Aromatase | 1 |
| 2231592 | 10.1021/jm00173a001 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine