| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
FARINOMALEIN
ID: ALA1082049
Max Phase: Preclinical
Molecular Formula: C10H13NO4
Molecular Weight: 211.22
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Farinomalein
Synonyms from Alternative Forms(1):
Canonical SMILES: CC(C)C1=CC(=O)N(CCC(=O)O)C1=O
Standard InChI: InChI=1S/C10H13NO4/c1-6(2)7-5-8(12)11(10(7)15)4-3-9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
Standard InChI Key: UWAZSQUZHSRNTR-UHFFFAOYSA-N
Associated Targets(non-human)
Phytophthora sojae 57 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: 211.22 | Molecular Weight (Monoisotopic): 211.0845 | AlogP: 0.41 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.68 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.25 | CX Basic pKa: | CX LogP: 0.43 | CX LogD: -2.57 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.68 | Np Likeness Score: 0.61 |
References
| 1. Putri SP, Kinoshita H, Ihara F, Igarashi Y, Nihira T.. (2009) Farinomalein, a maleimide-bearing compound from the entomopathogenic fungus Paecilomyces farinosus., 72 (8): [PMID:19670877] [10.1021/np9002806] |
Source
Source(1):