Compound Detail
CHEMBL1537810
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Basic Information
| ChEMBL ID | CHEMBL1537810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGWFPGAJYPEHPU-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
4.40
ALogP
9
HBA
1
HBD
93.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.77
IC50 2 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.77 | 6.05 | 170.0 | 3 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.63 | 5.63 | 2323.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.5 | 20460.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 170.0 | nM | 6.77 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 910.0 | nM | 6.04 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 2323.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Unchecked | EC50 | = | 4590.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Unchecked | IC50 | = | 20460.0 | nM | 4.69 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 49310.0 | nM | 4.31 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine