| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
IROMYCIN C
ID: ALA257864
Max Phase: Preclinical
Molecular Formula: C18H27NO2
Molecular Weight: 289.42
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Iromycin C
Synonyms from Alternative Forms(1):
Canonical SMILES: CC/C=C/C/C(C)=C/Cc1[nH]c(=O)c(C)c(O)c1CCC
Standard InChI: InChI=1S/C18H27NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h7-8,11H,5-6,9-10,12H2,1-4H3,(H2,19,20,21)/b8-7+,13-11+
Standard InChI Key: CYTLCZVDDYEJPL-IGOCJVNJSA-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: 289.42 | Molecular Weight (Monoisotopic): 289.2042 | AlogP: 4.19 | #Rotatable Bonds: 7 |
| 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: 10.55 | CX Basic pKa: | CX LogP: 4.06 | CX LogD: 4.06 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.74 | Np Likeness Score: 1.51 |
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):