Compound Detail
CHEMBL412194
CATIGUANIN A Enter ChEMBL ID:
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COC(=O)C[C@@H]1c2cc(O)c(O)cc2Oc2cc(O)c3c(c21)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3
Basic Information
| ChEMBL ID | CHEMBL412194 |
| Name | CATIGUANIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XECJBJHITROSPL-UCKKVMSCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
3.05
ALogP
10
HBA
6
HBD
166.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 7100.0 | nM | 5.15 | DPPH radical scavenging activity | 18020420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18020420 | 10.1021/np0703895 | PC-12 | 2 |
| 18020420 | 10.1021/np0703895 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine