| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2286779
Max Phase: Preclinical
Molecular Formula: C8H20Cl2N2O2
Molecular Weight: 174.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cl.Cl.NCC(N)CCCCCC(=O)O
Standard InChI: InChI=1S/C8H18N2O2.2ClH/c9-6-7(10)4-2-1-3-5-8(11)12;;/h7H,1-6,9-10H2,(H,11,12);2*1H
Standard InChI Key: RESYYGWSBVSZJT-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: 174.24 | Molecular Weight (Monoisotopic): 174.1368 | AlogP: 0.31 | #Rotatable Bonds: 7 |
| Polar Surface Area: 89.34 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.69 | CX Basic pKa: 9.84 | CX LogP: -2.35 | CX LogD: -2.48 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.48 | Np Likeness Score: 1.20 |
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):