Compound Detail
CHEMBL1971185
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Basic Information
| ChEMBL ID | CHEMBL1971185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWILVEPRHIRCJK-KQQUZDAGSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
2.77
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.04
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.04 | 6.04 | 909.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.49 | 5.49 | 3264.1 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 5.47 | 5.47 | 3400.0 | 2 |
| Transcription factor Jun CHEMBL4977 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 909.0 | nM | 6.04 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| G-protein coupled receptor 55 | IC50 | = | 3264.13 | nM | 5.49 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 3400.0 | nM | 5.47 | Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and a... | - |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 3400.0 | nM | 5.47 | Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and a... | - |
| Transcription factor Jun | IC50 | = | 4100.0 | nM | 5.39 | Cellular Firefly Luciferase Assay (AP-1): Curcumin is a known inhibitor of the A... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25961334 | 10.1021/acs.jmedchem.5b00470 | PC-3 | 2 |
| 25961334 | 10.1021/acs.jmedchem.5b00470 | DU-145 | 2 |
| 25961334 | 10.1021/acs.jmedchem.5b00470 | LNCaP | 2 |
| 25961334 | 10.1021/acs.jmedchem.5b00470 | HeLa | 2 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine