| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2286790
Max Phase: Preclinical
Molecular Formula: C11H22ClNO3
Molecular Weight: 215.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)C(N)C(=O)CCCCCC(=O)O.Cl
Standard InChI: InChI=1S/C11H21NO3.ClH/c1-8(2)11(12)9(13)6-4-3-5-7-10(14)15;/h8,11H,3-7,12H2,1-2H3,(H,14,15);1H
Standard InChI Key: POHQJKCJYCTEHD-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: 215.29 | Molecular Weight (Monoisotopic): 215.1521 | AlogP: 1.57 | #Rotatable Bonds: 8 |
| Polar Surface Area: 80.39 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.09 | CX Basic pKa: 8.20 | CX LogP: -0.47 | CX LogD: -0.52 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.60 | Np Likeness Score: 0.58 |
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):