Compound Detail
CHEMBL1099162
ARTOBILOXANTHONE Enter ChEMBL ID:
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C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)-c2c(O)cc(O)c(O)c21
Basic Information
| ChEMBL ID | CHEMBL1099162 |
| Name | ARTOBILOXANTHONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIYAGIMFLYOZDS-GFCCVEGCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
4.68
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Transcription factor p65 CHEMBL5533 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells asse... | 20384315 |
| Transcription factor p65 | IC50 | = | 3700.0 | nM | 5.43 | 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