Compound Detail
CHEMBL122192
EMODIN ANTHRONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL122192 |
| Name | EMODIN ANTHRONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAJSXCAVRQXZIO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.25
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 3900.0 | nM | 5.41 | Cytotoxicity against human KB cells | 11575949 |
| Arachidonate 5-lipoxygenase | IC50 | = | 14000.0 | nM | 4.85 | 5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bo... | 9371243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371243 | 10.1021/jm970292n | Molecular identity unknown | 2 |
| 9371243 | 10.1021/jm970292n | HaCaT | 2 |
| 19463000 | 10.1021/jm9003297 | P2Y purinoceptor 12 | 2 |
| 19746917 | 10.1021/np9002977 | THP-1 | 2 |
| 9371243 | 10.1021/jm970292n | No relevant target | 1 |
| 9371243 | 10.1021/jm970292n | Arachidonate 5-lipoxygenase | 1 |
| 11575949 | 10.1021/np010030v | KB | 1 |
| 27997879 | 10.1016/j.ejmech.2016.12.018 | ATP-citrate synthase | 1 |
Data from ChEMBL 36 via Core Engine