Compound Detail
CHEMBL1255855
OLIGOMYCIN Enter ChEMBL ID:
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CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@@H]2[C@H](C)[C@H](CC1)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@H]2C
Basic Information
| ChEMBL ID | CHEMBL1255855 |
| Name | OLIGOMYCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNULEGDCPYONBU-AWJDAWNUSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
791.1
MW (Da)
5.88
ALogP
11
HBA
5
HBD
180.1
PSA (Ų)
0.22
QED
3
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Ki 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | Ki | 6.36 | 6.36 | 440.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.05 | 6.025 | 900.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human K562 cells assessed as reduction in cel... | 32942072 |
| K562 | IC50 | = | 200.0 | nM | 6.7 | Antitumor activity against human K562 cells assessed as reduction in cell viabil... | 32942072 |
| Solute carrier organic anion transporter family member 1B1 | Ki | = | 250.0 | nM | 6.6 | Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells | 23571415 |
| Solute carrier organic anion transporter family member 1B3 | Ki | = | 440.0 | nM | 6.36 | Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells | 23571415 |
| HCT-116 | IC50 | = | 900.0 | nM | 6.05 | Antiproliferative activity against human HCT-116 cells assessed as reduction in ... | 32942072 |
| HCT-116 | IC50 | = | 1000.0 | nM | 6.0 | Antitumor activity against human HCT-116 cells assessed as reduction in cell via... | 32942072 |
| NON-PROTEIN TARGET | IC50 | = | 29000.0 | nM | 4.54 | Cytotoxicity against human SH-SY5Y cells assessed as reduction in cell viability... | 27689727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18086841 | 10.1128/aac.00642-07 | Trypanosoma brucei brucei | 3 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 2 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 2 |
| 28233680 | 10.1016/j.bmc.2017.01.046 | AMP-activated protein kinase, AMPK | 2 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | K562 | 2 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | HCT-116 | 2 |
| 14985103 | 10.1016/j.bbrc.2004.01.156 | ATP-dependent translocase ABCB1 | 1 |
| 8738419 | - | Hepatic sodium/bile acid cotransporter | 1 |
| - | 10.1584/jpestics.30.17 | NON-PROTEIN TARGET | 1 |
| 27689727 | 10.1016/j.ejmech.2016.09.050 | NON-PROTEIN TARGET | 1 |
| 28233680 | 10.1016/j.bmc.2017.01.046 | HCT-116 | 1 |
| 32139325 | 10.1016/j.bmcl.2020.127047 | Unchecked | 1 |
| 37991993 | 10.1021/acs.jmedchem.3c01792 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine