| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
IROMYCIN F
ID: ALA272059
Max Phase: Preclinical
Molecular Formula: C19H29NO3
Molecular Weight: 319.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC1=C(C/C=C(\C)C/C=C/C(C)C)N=C(O)C(C)(O)C1=O
Standard InChI: InChI=1S/C19H29NO3/c1-6-8-15-16(20-18(22)19(5,23)17(15)21)12-11-14(4)10-7-9-13(2)3/h7,9,11,13,23H,6,8,10,12H2,1-5H3,(H,20,22)/b9-7+,14-11+
Standard InChI Key: CFXXCKIWSIISPX-DTCTWCMCSA-N
Associated Targets(non-human)
Mitochondrial complex I; NADH oxidoreductase 130 Activities
Molecule Features
| Natural Product: No | 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: 319.44 | Molecular Weight (Monoisotopic): 319.2147 | AlogP: 4.27 | #Rotatable Bonds: 7 |
| Polar Surface Area: 69.89 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.56 | CX Basic pKa: 3.87 | CX LogP: 3.32 | CX LogD: 0.97 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.69 | Np Likeness Score: 1.64 |
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):