Compound Detail
CHEMBL1577591
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Basic Information
| ChEMBL ID | CHEMBL1577591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZLYMVNJKHJFRO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
6.00
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.04 | 5.005 | 9190.0 | 2 |
| Estrogen receptor CHEMBL206 | EC50 | 4.99 | 4.99 | 10224.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 9190.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Estrogen receptor | EC50 | = | 10224.48 | nM | 4.99 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... | - |
| Unchecked | EC50 | = | 10690.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
Data from ChEMBL 36 via Core Engine