Compound Detail
CHEMBL277300
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Basic Information
| ChEMBL ID | CHEMBL277300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBBZSYPAQDRELN-YRNVUSSQSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.67
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 4.3 | 4.3 | 49830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration required for scavenging of superoxide anion generated b... | 9871729 |
| Neutrophil | IC50 | = | 100.0 | nM | 7.0 | Superoxide radical scavenging activity in stimulated human neutrophils | 17112640 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration required for scavenging of superoxide anion generated b... | 9871729 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Superoxide radical scavenging activity by hypoxanthine / xanthine oxidase system | 17112640 |
| HT-29 | IC50 | = | 49830.0 | nM | 4.3 | Cytotoxicity against Homo sapiens (human) HT-29 cells after 72 hr by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Mus musculus | 4 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Homo sapiens | 3 |
| 2362275 | 10.1021/jm00169a021 | HeLa | 1 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Prostaglandin G/H synthase 2 | 1 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Unchecked | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Neutrophil | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Unchecked | 1 |
| - | 10.1007/s00044-011-9549-9 | SGC-7901 | 1 |
| - | 10.1007/s00044-011-9549-9 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine