Compound Detail
CHEMBL2337633
MYCALOLIDE B Enter ChEMBL ID:
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COC[C@@H](OC)C(=O)O[C@H](CC[C@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O
Basic Information
| ChEMBL ID | CHEMBL2337633 |
| Name | MYCALOLIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYDMLFOHENLMIN-IEUMCZPDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1027.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 4.7 | nM | 8.33 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 23357626 |
| NON-PROTEIN TARGET | IC50 | = | 52.0 | nM | 7.28 | Cytotoxicity against human HeLaS3 cells after 72 hrs by MTT assay | 23357626 |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Induction of F-actin (unknown origin) polymerization after 1 hr by spectrofluoro... | 23357626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23357626 | 10.1016/j.bmcl.2012.12.052 | HL-60 | 4 |
| 23357626 | 10.1016/j.bmcl.2012.12.052 | NON-PROTEIN TARGET | 3 |
| 23357626 | 10.1016/j.bmcl.2012.12.052 | Unchecked | 1 |
| 23357626 | 10.1016/j.bmcl.2012.12.052 | HeLa S3 | 1 |
Data from ChEMBL 36 via Core Engine