Compound Detail
CHEMBL42529
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Basic Information
| ChEMBL ID | CHEMBL42529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVGPGNPCZPYCLK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
-1.50
ALogP
9
HBA
3
HBD
116.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.73 | 5.4567 | 1846.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 1846.0 | nM | 5.73 | PUBCHEM_BIOASSAY: PMA/Ionomycin induced NF-kB luciferase assay in 293- NF-kB-Luc... | - |
| HEK293 | EC50 | = | 1846.0 | nM | 5.73 | PUBCHEM_BIOASSAY: PMA/Ionomycin induced NF-kB luciferase assay in 293- NF-kB-Luc... | - |
| HEK293 | EC50 | = | 12200.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Cytotoxicity assay in HEK293 cells. (Class of assay: confirmat... | - |
Data from ChEMBL 36 via Core Engine