Compound Detail
CHEMBL486345
LATRUNCULONE A Enter ChEMBL ID:
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C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC(O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2
Basic Information
| ChEMBL ID | CHEMBL486345 |
| Name | LATRUNCULONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIJQQQOGGXBOKH-DBNZMVNOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
3.05
ALogP
7
HBA
3
HBD
105.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-435 CHEMBL614697 | IC50 | 4.52 | 4.52 | 30500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-435 | IC50 | = | 30500.0 | nM | 4.52 | Cytotoxicity against human MDA-MB-435 cells 48 hrs by SRB assay | 18942825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18942825 | 10.1021/jm8008585 | MDA-MB-435 | 2 |
| 22129061 | 10.1021/np200673b | HeLa | 2 |
| 18942825 | 10.1021/jm8008585 | HCT-116 | 1 |
| 18942825 | 10.1021/jm8008585 | A10 | 1 |
| 22129061 | 10.1021/np200673b | NON-PROTEIN TARGET | 1 |
| 22129061 | 10.1021/np200673b | HT-29 | 1 |
| 22129061 | 10.1021/np200673b | MDA-MB-435 | 1 |
| 22129061 | 10.1021/np200673b | Trypanosoma brucei brucei | 1 |
| 22129061 | 10.1021/np200673b | U-937 | 1 |
Data from ChEMBL 36 via Core Engine