Compound Detail
CHEMBL490331
MANGIFERONIC ACID Enter ChEMBL ID:
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C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL490331 |
| Name | MANGIFERONIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZPNVEOVZSHYMZ-NTXGJNAHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
454.7
MW (Da)
7.44
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.36 | 4.36 | 44100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 9000.0 | nM | 5.05 | Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc... | 30063340 |
| Human immunodeficiency virus 1 | IC50 | = | 44100.0 | nM | 4.36 | Antiviral activity against HIV1 3B infected in human HOG.R5 assessed as inhibiti... | 12608862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12608862 | 10.1021/np020379y | ADMET | 2 |
| 12608862 | 10.1021/np020379y | Human immunodeficiency virus 1 | 2 |
| 19572611 | 10.1021/np9002433 | PANC-1 | 2 |
| 27466882 | 10.1021/acs.jnatprod.6b00381 | NON-PROTEIN TARGET | 2 |
| 30063340 | 10.1021/acs.jnatprod.8b00245 | BV-2 | 2 |
| 28783356 | 10.1021/acs.jnatprod.7b00375 | PANC-1 | 1 |
| 31557016 | 10.1021/acs.jnatprod.9b00616 | Bacillus subtilis | 1 |
| 31557016 | 10.1021/acs.jnatprod.9b00616 | Staphylococcus aureus | 1 |
| 31557016 | 10.1021/acs.jnatprod.9b00616 | Escherichia coli | 1 |
| 31557016 | 10.1021/acs.jnatprod.9b00616 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine