Compound Detail
CHEMBL258096
IROMYCIN S Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL258096 |
| Name | IROMYCIN S |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDOKCEVQABSUAF-HVUCGZAQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.5
MW (Da)
4.82
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial complex I; NADH oxidoreductase CHEMBL614865 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
| L929 CHEMBL612267 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial complex I; NADH oxidoreductase | IC50 | = | 183.0 | nM | 6.74 | Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity i... | 18054490 |
| L929 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against mouse L929 fibroblasts | 18054490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18054490 | 10.1016/j.bmc.2007.11.023 | Mitochondrial complex I; NADH oxidoreductase | 1 |
| 18054490 | 10.1016/j.bmc.2007.11.023 | L929 | 1 |
Data from ChEMBL 36 via Core Engine