Compound Detail
CHEMBL3084684
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Basic Information
| ChEMBL ID | CHEMBL3084684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYPBJIBUDRIKSD-QWHZDKJVSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.59
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3056 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 95.0 | uL/ml.millig | Rattus norvegicus |
| CL | 22.0 | uL/ml.millig | Homo sapiens |
| F | 41.0 | % | Rattus norvegicus |
| F | 52.0 | % | Canis lupus familiaris |
| T1/2 | 8.4 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 1.995 | nM | 8.7 | Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfec... | 19856921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19856921 | 10.1021/jm901149c | Androgen receptor | 2 |
| 19856921 | 10.1021/jm901149c | Liver microsomes | 2 |
| 19856921 | 10.1021/jm901149c | Hepatocyte | 1 |
| 19856921 | 10.1021/jm901149c | Rattus norvegicus | 1 |
| 19856921 | 10.1021/jm901149c | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine