Compound Detail
CHEMBL1401969
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Basic Information
| ChEMBL ID | CHEMBL1401969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXRVGZFZSCZDNC-WYMLVPIESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
6.05
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.93 | 5.5867 | 1168.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 1168.0 | nM | 5.93 | PUBCHEM_BIOASSAY: PMA/Ionomycin induced NF-kB luciferase assay in 293- NF-kB-Luc... | - |
| HEK293 | EC50 | = | 2596.0 | nM | 5.59 | PUBCHEM_BIOASSAY: TNF Induced NF-kB Luciferase in 293-NF-kB-Luc Stable Cells. (C... | - |
| HEK293 | EC50 | = | 5717.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Cytotoxicity assay in HEK293 cells. (Class of assay: confirmat... | - |
Data from ChEMBL 36 via Core Engine