Compound Detail
CHEMBL452488
LIMOCITRIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL452488 |
| Name | LIMOCITRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBXCKSUZOFKGSB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
2.30
ALogP
8
HBA
4
HBD
129.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocyte CHEMBL614076 | IC50 | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocyte | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of TNFalpha expression in LPS-stimulated human monocytes treated 30 m... | 10096854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10096854 | 10.1021/np980431j | Monocyte | 1 |
| 10096854 | 10.1021/np980431j | ADMET | 1 |
Data from ChEMBL 36 via Core Engine