Compound Detail
CHEMBL418971
BISPHENOL A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL418971 |
| Name | BISPHENOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IISBACLAFKSPIT-UHFFFAOYSA-N |
15
Targets
39
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
3.42
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 25 meas. best 8.31
Ki 6 meas. best 6.19
EC50 5 meas. best 6.54
Kd 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Estrogen-related receptor gamma CHEMBL4245 | Kd | 8.26 | 8.26 | 5.5 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 6.54 | 6.1367 | 290.0 | 3 |
| Estrogen receptor CHEMBL206 | IC50 | 6.31 | 6.0725 | 490.0 | 4 |
| Estrogen receptor CHEMBL206 | Ki | 6.19 | 6.19 | 649.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.17 | 6.115 | 670.0 | 2 |
| Estrogen receptor beta CHEMBL242 | EC50 | 6.12 | 6.04 | 757.0 | 2 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 5.88 | 5.88 | 1304.0 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 CHEMBL3585237 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 CHEMBL4693 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.6 | 5.6 | 2516.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.27 | 5.27 | 5420.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 4.97 | 4.97 | 10798.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 4.82 | 4.82 | 15108.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 4.78 | 4.78 | 16483.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 4.78 | 4.78 | 16620.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 4.72 | 4.72 | 19015.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 4.69 | 4.69 | 20325.0 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 4.65 | 4.65 | 22531.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.47 | 4.3 | 33796.0 | 2 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2529 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL3637936 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| HT-22 CHEMBL614316 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine