Compound Detail
CHEMBL489621
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Basic Information
| ChEMBL ID | CHEMBL489621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVDGOKMQDYFKFY-HXUWFJFHSA-N |
4
Targets
4
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.53
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.86
IC50 1 meas. best 4.43
Ki 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.6 | 9.6 | 0.2 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.86 | 4.86 | 13667.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.84 | 4.84 | 14438.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.43 | 4.43 | 36900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.25 | nM | 9.6 | Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liqui... | 19329329 |
| Zinc finger protein mex-5 | EC50 | = | 13667.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 14438.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 36900.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine