Compound Detail
CHEMBL515248
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COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C\c4cc(C)n(C)c4C)c(=O)n32)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL515248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OASXKSSRDUUVRV-NHDPSOOVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
2.80
ALogP
8
HBA
0
HBD
74.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.22 | 5.135 | 6060.0 | 2 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.96 | 4.96 | 10857.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.68 | 4.68 | 21047.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6060.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
| Unchecked | EC50 | = | 8890.0 | nM | 5.05 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| RNA-binding protein pos-1 | EC50 | = | 10857.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Zinc finger protein mex-5 | EC50 | = | 21047.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18358729 | 10.1016/j.bmc.2008.03.004 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine