Compound Detail
CHEMBL2047364
CHLOROGENIN Enter ChEMBL ID:
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C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Basic Information
| ChEMBL ID | CHEMBL2047364 |
| Name | CHLOROGENIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZNPHSFXILSZTM-JUGSJECZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
4.76
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL613710 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of FMLP/CB-stimulated superoxide production in human neutrophils prei... | 25036668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22575533 | 10.1016/j.ejmech.2012.04.022 | NON-PROTEIN TARGET | 2 |
| 25036668 | 10.1021/np500057b | Neutrophil | 2 |
Data from ChEMBL 36 via Core Engine