Compound Detail
CHEMBL1556884
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CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1556884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTBGCJYVPQZDJI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.9
MW (Da)
4.19
ALogP
6
HBA
1
HBD
102.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.61 | 5.565 | 2460.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2460.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 3020.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
Data from ChEMBL 36 via Core Engine