Compound Detail
CHEMBL436605
ANTIMYCIN A3 Enter ChEMBL ID:
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CCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL436605 |
| Name | ANTIMYCIN A3 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVEVXUMVNWSNIG-PDPGNHKXSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
2.70
ALogP
9
HBA
3
HBD
157.3
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.08
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.08 | 6.08 | 831.8 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | Ki | = | 831.76 | nM | 6.08 | Binding affinity to BCL2 | 18040043 |
| Apoptosis regulator Bcl-2 | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against Bcl-2 | 11728179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808458 | 10.1016/j.bmcl.2005.02.065 | Saccharomyces cerevisiae | 4 |
| 20621723 | 10.1016/j.bmcl.2010.05.104 | Escherichia coli | 2 |
| 20621723 | 10.1016/j.bmcl.2010.05.104 | Bacillus subtilis | 2 |
| 20621723 | 10.1016/j.bmcl.2010.05.104 | Staphylococcus aureus | 2 |
| 20621723 | 10.1016/j.bmcl.2010.05.104 | Candida albicans | 2 |
| 30417645 | 10.1021/acs.jnatprod.8b00559 | RBL-2H3 | 2 |
| 11728179 | 10.1021/jm010016f | Apoptosis regulator Bcl-2 | 1 |
| 16564168 | 10.1016/j.bmcl.2006.03.023 | Rhodotorula mucilaginosa | 1 |
| 16564168 | 10.1016/j.bmcl.2006.03.023 | Bos taurus | 1 |
| 17227711 | 10.1016/j.bmc.2006.12.020 | Apoptosis regulator Bcl-2 | 1 |
| 17227711 | 10.1016/j.bmc.2006.12.020 | Unchecked | 1 |
| 17227711 | 10.1016/j.bmc.2006.12.020 | Bcl-2-like protein 2 | 1 |
| 18040043 | 10.1073/pnas.0709443104 | Apoptosis regulator Bcl-2 | 1 |
| 16124766 | 10.1021/np050145p | Candida albicans | 1 |
| 16124766 | 10.1021/np050145p | Parastagonospora nodorum | 1 |
Data from ChEMBL 36 via Core Engine