Compound Detail
CHEMBL109860
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Basic Information
| ChEMBL ID | CHEMBL109860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLLUXNYOVSHCHO-SNAWJCMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.59
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 19000.0 | nM | 4.72 | Compound was tested for inhibitory activity against nitric oxide production in L... | 10714491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10714491 | 10.1016/s0960-894x(99)00702-7 | Mus musculus | 1 |
| 20384315 | 10.1021/np1002065 | Nuclear factor NF-kappa-B p105 subunit | 1 |
| 20384315 | 10.1021/np1002065 | Transcription factor p65 | 1 |
| 20384315 | 10.1021/np1002065 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine