Compound Detail
CHEMBL1369482
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C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL1369482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLBRXKAJFFYOFP-NPSQBYGWSA-M |
| Parent Compound | CHEMBL1236070 |
| Active Moiety | CHEMBL1236070 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
0.15
ALogP
8
HBA
6
HBD
156.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 5.04 | 5.04 | 9160.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 9160.26 | nM | 5.04 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... | - |
Data from ChEMBL 36 via Core Engine