Compound Detail
CHEMBL1579418
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Basic Information
| ChEMBL ID | CHEMBL1579418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWMBBBWQUZZSLQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
3.52
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 6.13 | 5.495 | 743.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 743.8 | nM | 6.13 | PUBCHEM_BIOASSAY: PMA/Ionomycin induced NF-kB luciferase assay in 293- NF-kB-Luc... | - |
| HEK293 | EC50 | = | 13930.0 | nM | 4.86 | PUBCHEM_BIOASSAY: PMA/Ionomycin-induced IL-8 production in HEK293- NF-kB-Luc sta... | - |
Data from ChEMBL 36 via Core Engine