Compound Detail
CHEMBL1408465
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Basic Information
| ChEMBL ID | CHEMBL1408465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMVAFHCDNYMVNS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.56
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 4.98 | 4.98 | 10404.9 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.55 | 4.445 | 28428.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 10404.85 | nM | 4.98 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... | - |
| Unchecked | EC50 | = | 28428.0 | nM | 4.55 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 46082.0 | nM | 4.34 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine