Compound Detail
CHEMBL4465426
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Basic Information
| ChEMBL ID | CHEMBL4465426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTGSGTWRNQCEQY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
7
Publications
0
Known Names
Molecular Properties
290.2
MW (Da)
2.68
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 795202.8 | ng.hr.mL-1 | Mus musculus |
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 7.0 | mL.min-1.g-1 | Mus musculus |
| Cmax | 124000.0 | nM | Mus musculus |
| Tmax | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhib... | 27933964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933964 | 10.1021/acs.jmedchem.6b01410 | ADMET | 5 |
| 27933964 | 10.1021/acs.jmedchem.6b01410 | No relevant target | 3 |
| 27933964 | 10.1021/acs.jmedchem.6b01410 | Schistosoma mansoni | 3 |
| 30389288 | 10.1016/j.bmcl.2018.10.039 | Schistosoma mansoni | 1 |
| 27933964 | 10.1021/acs.jmedchem.6b01410 | Albumin | 1 |
| 27933964 | 10.1021/acs.jmedchem.6b01410 | Androgen receptor | 1 |
| 27933964 | 10.1021/acs.jmedchem.6b01410 | L6 | 1 |
Data from ChEMBL 36 via Core Engine