Compound Detail
CHEMBL1420606
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Basic Information
| ChEMBL ID | CHEMBL1420606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMECFCLKNUKCCW-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
5.55
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.74
EC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.74 | 5.35 | 1841.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 5.11 | 5.11 | 7827.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.06 | 5.06 | 8700.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.04 | 5.04 | 9225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1841.0 | nM | 5.74 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 7827.0 | nM | 5.11 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| HEK293 | EC50 | = | 8700.0 | nM | 5.06 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 9225.0 | nM | 5.04 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Unchecked | IC50 | = | 11061.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
Data from ChEMBL 36 via Core Engine