Compound Detail
CHEMBL2063002
LANGKOLIDE Enter ChEMBL ID:
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CC(=O)O[C@H]1C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H]2O[C@H]2[C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)O[C@H]2CC[C@H](O[C@@H]3CC[C@@H](OC(=O)[C@H](C)[C@@H](O)/C(C)=C/c4ccc5c(c4)C(=O)C=CC5=O)[C@H](C)O3)[C@H](C)O2)OC(=O)/C=C/[C@H](C)[C@@H](O)C[C@H](O)/C=C/CC[C@@H](C)[C@@H](O)[C@H](O)[C@@]2(O)O[C@@H](C1)C[C@@H](O)[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL2063002 |
| Name | LANGKOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKYZPPPUAQTHME-QCSWNJHXSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
1447.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Nakaseomyces glabratus CHEMBL612647 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 480.0 | nM | 6.32 | Inhibition of human recombinant PDE4B2 by HTS cAMP assay | 22642587 |
| NIH3T3 | IC50 | = | 490.0 | nM | 6.31 | Cytotoxicity against mouse NIH/3T3 cells after 24 hrs by CellTiter-Blue assay | 22642587 |
| Nakaseomyces glabratus | IC50 | = | 1000.0 | nM | 6.0 | Antifungal activity against Candida glabrata DSM 6425 after 14 to 16 hrs by resa... | 22642587 |
| Candida albicans | IC50 | = | 1230.0 | nM | 5.91 | Antifungal activity against Candida albicans DSM 1386 after 14 to 16 hrs by resa... | 22642587 |
| HT-29 | IC50 | = | 1380.0 | nM | 5.86 | Cytotoxicity against human HT-29 cells after 24 hrs by CellTiter-Blue assay | 22642587 |
| Glycogen synthase kinase-3 beta | IC50 | = | 2170.0 | nM | 5.66 | Inhibition of recombinant GSK3beta by KinaseGlo assay | 22642587 |
| HepG2 | IC50 | = | 2410.0 | nM | 5.62 | Cytotoxicity against human HepG2 cells after 24 hrs by CellTiter-Blue assay | 22642587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22642587 | 10.1021/np200580g | Bacillus subtilis | 1 |
| 22642587 | 10.1021/np200580g | Cutibacterium acnes | 1 |
| 22642587 | 10.1021/np200580g | Mammaliicoccus lentus | 1 |
| 22642587 | 10.1021/np200580g | Xanthomonas campestris | 1 |
| 22642587 | 10.1021/np200580g | Nakaseomyces glabratus | 1 |
| 22642587 | 10.1021/np200580g | Candida albicans | 1 |
| 22642587 | 10.1021/np200580g | NIH3T3 | 1 |
| 22642587 | 10.1021/np200580g | HepG2 | 1 |
| 22642587 | 10.1021/np200580g | HT-29 | 1 |
| 22642587 | 10.1021/np200580g | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 22642587 | 10.1021/np200580g | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine