Compound Detail
CHEMBL4870613
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Basic Information
| ChEMBL ID | CHEMBL4870613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHDLBAQVJIXGKH-AWEZNQCLSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.2
MW (Da)
2.93
ALogP
5
HBA
2
HBD
90.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.99 | 5.99 | 1019.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4418 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1019.0 | nM | 5.99 | Antagonist activity at human androgen receptor expressed in HEK-293 cells harbor... | 34269581 |
| Androgen receptor | IC50 | = | 1019.0 | nM | 5.99 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | IC50 | = | 1019.0 | nM | 5.99 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34269581 | 10.1021/acs.jmedchem.1c00439 | Androgen receptor | 4 |
| 34269581 | 10.1021/acs.jmedchem.1c00439 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine