Compound Detail
CHEMBL560466
CURTISIAN I Enter ChEMBL ID:
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CC(=O)O[C@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)O)c(O)c1-c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL560466 |
| Name | CURTISIAN I |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJBCIDYFSJCFFF-HUUCEWRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
540.5
MW (Da)
3.77
ALogP
11
HBA
5
HBD
180.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.22 | 4.22 | 60410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 60410.0 | nM | 4.22 | Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... | 19450986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19450986 | 10.1016/j.bmc.2009.04.064 | NON-PROTEIN TARGET | 2 |
| 19450986 | 10.1016/j.bmc.2009.04.064 | Radical scavenging activity | 1 |
| 19450986 | 10.1016/j.bmc.2009.04.064 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine