Compound Detail
CHEMBL55761
ANTHRARUFIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL55761 |
| Name | ANTHRARUFIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPICKYUTICNNNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
1.87
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.51 | 4.51 | 30800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 30800.0 | nM | 4.51 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 34915314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2558164 | 10.1021/np50065a012 | Raji | 4 |
| 2558164 | 10.1021/np50065a012 | Unchecked | 4 |
| 11459643 | 10.1016/s0960-894x(01)00318-3 | Estrogen receptor | 3 |
| 7494143 | 10.1021/np50123a005 | Unchecked | 2 |
| - | 10.1016/j.cropro.2011.09.009 | Trichoplusia ni | 2 |
| - | 10.1016/0960-894X(95)00326-O | Plasmodium falciparum | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 1A1 | 1 |
| 34225167 | 10.1016/j.bmc.2021.116292 | Transthyretin | 1 |
| 34995690 | 10.1016/j.bmcl.2021.128524 | A-431 | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] A | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine