Compound Detail
CHEMBL481120
XANTHOKEISMINS C Enter ChEMBL ID:
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C=C(C)C(O)CCC(C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL481120 |
| Name | XANTHOKEISMINS C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVZYQQARMOXBPW-IRTNKAGMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.26
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Superoxide-scavenging activity assessed as inhibition of formation of WST1 forma... | 18558745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18558745 | 10.1021/np800187f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine