Compound Detail
CHEMBL463487
CITRUSIN C Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL463487 |
| Name | CITRUSIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VADSVXSGIFBZLI-IBEHDNSVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
-0.40
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 1700.0 | nM | 5.77 | Antiinflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed a... | 31747281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24953601 | 10.1016/j.bmcl.2014.05.077 | RAW264.7 | 2 |
| 15104516 | 10.1021/np0302908 | PC-12 | 1 |
| 22264115 | 10.1021/np200646e | No relevant target | 1 |
| 22264115 | 10.1021/np200646e | Aldo-keto reductase family 1 member B1 | 1 |
| 23356964 | 10.1021/np300609u | Radical scavenging activity | 1 |
| 24953601 | 10.1016/j.bmcl.2014.05.077 | No relevant target | 1 |
| 29254897 | 10.1016/j.bmc.2017.12.011 | Tyrosinase | 1 |
| 31747281 | 10.1021/acs.jnatprod.9b00697 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine