Compound Detail
CHEMBL1094756
ARTORIGIDIN A Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C(C)[C@H]1Cc2c(oc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c2=O)-c2c(O)cc(O)c(O)c21
Basic Information
| ChEMBL ID | CHEMBL1094756 |
| Name | ARTORIGIDIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAAYVNVIRVOBNR-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
6.22
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor p65 CHEMBL5533 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor p65 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells asse... | 20384315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20384315 | 10.1021/np1002065 | Nuclear factor NF-kappa-B p105 subunit | 1 |
| 20384315 | 10.1021/np1002065 | Transcription factor p65 | 1 |
| 20384315 | 10.1021/np1002065 | HT-29 | 1 |
| 25537111 | 10.1021/np500734t | AGS | 1 |
Data from ChEMBL 36 via Core Engine