| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2287385
Max Phase: Preclinical
Molecular Formula: C7H13O3PS
Molecular Weight: 208.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC12COP(=S)(OC1)OC2
Standard InChI: InChI=1S/C7H13O3PS/c1-2-3-7-4-8-11(12,9-5-7)10-6-7/h2-6H2,1H3
Standard InChI Key: TVWURRDFHQMXFZ-UHFFFAOYSA-N
Associated Targets(non-human)
Blattella germanica 87 Activities
GABA receptor subunit 76 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 208.22 | Molecular Weight (Monoisotopic): 208.0323 | AlogP: 2.07 | #Rotatable Bonds: 2 |
| Polar Surface Area: 27.69 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.99 | CX LogD: 1.99 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.65 | Np Likeness Score: 0.67 |
References
| 1. OZOE Y, MOCHIDA K, NAKAMURA T, ETO M. (1992) Role of Alkyl Groups at the Three Position of Bicyclophosphorothionates in Interaction with Insect GABA-Gated Chloride Channel, 17 (1): [10.1584/jpestics.17.55] |
Source
Source(1):