Compound Detail
CHEMBL3818224
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Basic Information
| ChEMBL ID | CHEMBL3818224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUBZQPZCKXOXRO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
3.36
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.9 | 8.9 | 1.3 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 83.0 | % | Rattus norvegicus |
| F | 83.0 | % | Rattus norvegicus |
| T1/2 | 8.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 1.259 | nM | 8.9 | Modulation of human androgen receptor expressed in African green monkey CV1 cell... | 26819671 |
| Androgen receptor | EC50 | = | 1.26 | nM | 8.9 | Modulation of Androgen receptor (unknown origin) | 35063736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26819671 | 10.1021/acsmedchemlett.5b00377 | Rattus norvegicus | 2 |
| 26819671 | 10.1021/acsmedchemlett.5b00377 | No relevant target | 1 |
| 26819671 | 10.1021/acsmedchemlett.5b00377 | Androgen receptor | 1 |
| 35063736 | 10.1016/j.ejmech.2022.114119 | Androgen receptor | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine