Compound Detail
CHEMBL462576
KEPONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL462576 |
| Name | KEPONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHHGDZSESBACKH-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.62
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Kd 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2304421 | Kd | 6.31 | 6.31 | 490.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.92 | 4.92 | 12022.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.35 | 4.34 | 44420.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Kd | = | 490.0 | nM | 6.31 | Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor | 14761204 |
| Androgen receptor | IC50 | = | 12022.64 | nM | 4.92 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
| Unchecked | IC50 | = | 44420.0 | nM | 4.35 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Unchecked | IC50 | = | 46740.0 | nM | 4.33 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761204 | 10.1021/jm0309607 | Estrogen receptor | 1 |
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
| 19272677 | 10.1016/j.ejmech.2009.02.014 | Mus musculus | 1 |
| 8917702 | 10.1006/taap.1996.0286 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine