Compound Detail
CHEMBL1370087
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Basic Information
| ChEMBL ID | CHEMBL1370087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLNSEXDMJLMZQF-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
2.31
ALogP
6
HBA
0
HBD
85.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.96
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 6.57 | 6.57 | 266.6 | 1 |
| HEK293 CHEMBL614818 | EC50 | 6.34 | 5.53 | 456.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 110.0 | nM | 6.96 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Krueppel-like factor 5 | IC50 | = | 266.61 | nM | 6.57 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| HEK293 | EC50 | = | 456.1 | nM | 6.34 | PUBCHEM_BIOASSAY: PMA/Ionomycin induced NF-kB luciferase assay in 293- NF-kB-Luc... | - |
| HEK293 | EC50 | = | 6872.0 | nM | 5.16 | PUBCHEM_BIOASSAY: TNF Induced NF-kB Luciferase in 293-NF-kB-Luc Stable Cells. (C... | - |
| HEK293 | EC50 | = | 8144.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Cytotoxicity assay in HEK293 cells. (Class of assay: confirmat... | - |
Data from ChEMBL 36 via Core Engine