Compound Detail
CHEMBL2021442
MANASSANTIN A Enter ChEMBL ID:
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COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc(OC)c(OC)c5)c(OC)c4)[C@H](C)[C@H]3C)cc2O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL2021442 |
| Name | MANASSANTIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHSIFEWQADUTCG-FZBBBUCASA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
718.8
MW (Da)
7.52
ALogP
11
HBA
3
HBD
134.5
PSA (Ų)
0.11
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
EC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 8.52 | 8.3333 | 3.0 | 3 |
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 5.47 | 5.47 | 3420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of HIF1 by luciferase reporter gene assay | 19423348 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of HIF-1 (unknown origin) | - |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 3.0 | nM | 8.52 | Inhibition of hypoxia-induced HIF1 transcriptional activity in human T47D cells ... | 24900662 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 3.0 | nM | 8.52 | Inhibition of hypoxia-induced HIF1 transcriptional activity in human T47D cells ... | 24900662 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 11.0 | nM | 7.96 | Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pR... | 26394152 |
| Human gammaherpesvirus 4 | EC50 | = | 3420.0 | nM | 5.47 | Antiviral activity against EBV infected in human P3HR1 cells assessed as inhibit... | 24359277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19423348 | 10.1016/j.bmcl.2009.04.071 | 4T1 | 6 |
| 26394152 | 10.1021/acs.jmedchem.5b01220 | NON-PROTEIN TARGET | 3 |
| 24900662 | 10.1021/ml3004632 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 2 |
| 26394152 | 10.1021/acs.jmedchem.5b01220 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 2 |
| 19423348 | 10.1016/j.bmcl.2009.04.071 | Unchecked | 1 |
| 19423348 | 10.1016/j.bmcl.2009.04.071 | T47D | 1 |
| 19423348 | 10.1016/j.bmcl.2009.04.071 | MDA-MB-231 | 1 |
| 19423348 | 10.1016/j.bmcl.2009.04.071 | ADMET | 1 |
| 24359277 | 10.1021/np400757k | Unchecked | 1 |
| 24359277 | 10.1021/np400757k | ADMET | 1 |
| 24359277 | 10.1021/np400757k | Human gammaherpesvirus 4 | 1 |
| - | 10.1039/C2MD00289B | Unchecked | 1 |
| 26394152 | 10.1021/acs.jmedchem.5b01220 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine