Compound Detail
CHEMBL411879
LATRUNCULIN B Enter ChEMBL ID:
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C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2
Basic Information
| ChEMBL ID | CHEMBL411879 |
| Name | LATRUNCULIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSHPHXHGRHSMIK-JRIKCGFMSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.30
ALogP
6
HBA
2
HBD
84.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.32
EC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 6.32 | 6.265 | 478.0 | 2 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Actin, alpha skeletal muscle CHEMBL4523260 | IC50 | 5.07 | 5.07 | 8470.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.71 | 4.71 | 19270.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 478.0 | nM | 6.32 | Inhibition of cell migration in human HUVEC cells assessed as decrease in cell v... | 31260301 |
| HUVEC | IC50 | = | 611.6 | nM | 6.21 | Antiproliferative activity against human HUVEC measured after 72 hrs | 31260301 |
| MDA-MB-435 | IC50 | = | 4800.0 | nM | 5.32 | Cytotoxicity against human MDA-MB-435 cells 48 hrs by SRB assay | 18942825 |
| HCT-116 | IC50 | = | 7100.0 | nM | 5.15 | Cytotoxicity against human HCT116 cells after 3 days by trypan blue assay | 18942825 |
| Actin, alpha skeletal muscle | IC50 | = | 8470.0 | nM | 5.07 | Inhibition of rabbit skeletal muscle alpha-actin polymerization measured after 2... | 31260301 |
| HepG2 | IC50 | = | 19270.0 | nM | 4.71 | Anticancer activity against human HepG2 cells assessed as inhibition of cell gro... | 33940466 |
| Unchecked | EC50 | = | 44000.0 | nM | 4.36 | Inhibition of actin polymerisation in trophozoite-stage of plasmodium falciparum... | 28002959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31260301 | 10.1021/acs.jnatprod.9b00335 | Actin, alpha skeletal muscle | 8 |
| 18024584 | 10.1073/pnas.0709695104 | H4 | 4 |
| 28002959 | 10.1021/acs.jmedchem.6b01109 | Unchecked | 3 |
| 31260301 | 10.1021/acs.jnatprod.9b00335 | HUVEC | 2 |
| 18942825 | 10.1021/jm8008585 | MDA-MB-435 | 2 |
| 16499319 | 10.1021/np050372r | Saccharomyces cerevisiae | 1 |
| 33940466 | 10.1016/j.ejmech.2021.113491 | HepG2 | 1 |
| 20684858 | 10.1016/j.ejmech.2010.05.012 | MCF7 | 1 |
| 16408091 | 10.1038/nchembio751 | Unchecked | 1 |
| 19800245 | 10.1016/j.bmc.2009.09.012 | Aspergillus flavus | 1 |
| 19800245 | 10.1016/j.bmc.2009.09.012 | Candida albicans | 1 |
| 19800245 | 10.1016/j.bmc.2009.09.012 | Saccharomyces cerevisiae | 1 |
| 16499319 | 10.1021/np050372r | Candida albicans | 1 |
| 16499319 | 10.1021/np050372r | NON-PROTEIN TARGET | 1 |
| 16499319 | 10.1021/np050372r | Unchecked | 1 |
| 18942825 | 10.1021/jm8008585 | A10 | 1 |
| 18942825 | 10.1021/jm8008585 | HCT-116 | 1 |
| 18942825 | 10.1021/jm8008585 | MC-38 | 1 |
| 15217296 | 10.1021/np0340753 | A10 | 1 |
Data from ChEMBL 36 via Core Engine