| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2286782
Max Phase: Preclinical
Molecular Formula: C9H16N2O3
Molecular Weight: 200.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CCCCCC1CNC(=O)N1
Standard InChI: InChI=1S/C9H16N2O3/c12-8(13)5-3-1-2-4-7-6-10-9(14)11-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
Standard InChI Key: XLSSQNJMENVFNN-UHFFFAOYSA-N
Associated Targets(non-human)
Arabidopsis thaliana 307 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: 200.24 | Molecular Weight (Monoisotopic): 200.1161 | AlogP: 0.70 | #Rotatable Bonds: 6 |
| Polar Surface Area: 78.43 | Molecular Species: ACID | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.57 | CX Basic pKa: | CX LogP: 0.31 | CX LogD: -2.45 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.55 | Np Likeness Score: 1.15 |
References
| 1. Nudelman A, Marcovici-Mizrahi D, Nudelman A, Flint D, Wittenbach V. (2004) Inhibitors of biotin biosynthesis as potential herbicides, 60 (8): [10.1016/j.tet.2003.12.047] |
Source
Source(1):