| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
IROMYCIN AH
ID: ALA270644
Max Phase: Preclinical
Molecular Formula: C19H33NO2
Molecular Weight: 307.48
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): iromycin AH
Synonyms from Alternative Forms(1):
Canonical SMILES: CCCc1c(CCC(C)CCCC(C)C)[nH]c(=O)c(C)c1O
Standard InChI: InChI=1S/C19H33NO2/c1-6-8-16-17(20-19(22)15(5)18(16)21)12-11-14(4)10-7-9-13(2)3/h13-14H,6-12H2,1-5H3,(H2,20,21,22)
Standard InChI Key: SUXQILONEZLJOV-UHFFFAOYSA-N
Associated Targets(non-human)
Mitochondrial complex I; NADH oxidoreductase 130 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 307.48 | Molecular Weight (Monoisotopic): 307.2511 | AlogP: 4.74 | #Rotatable Bonds: 9 |
| Polar Surface Area: 53.09 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.63 | CX Basic pKa: | CX LogP: 5.11 | CX LogD: 5.11 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.69 | Np Likeness Score: 0.64 |
References
| 1. Surup F, Shojaei H, von Zezschwitz P, Kunze B, Grond S.. (2008) Iromycins from Streptomyces sp. and from synthesis: new inhibitors of the mitochondrial electron transport chain., 16 (4): [PMID:18054490] [10.1016/j.bmc.2007.11.023] |
Source
Source(1):