| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2287384
Max Phase: Preclinical
Molecular Formula: C9H17O3PS
Molecular Weight: 236.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC12COP(=S)(OC1)OC2CC
Standard InChI: InChI=1S/C9H17O3PS/c1-3-5-9-6-10-13(14,11-7-9)12-8(9)4-2/h8H,3-7H2,1-2H3
Standard InChI Key: OWFFCDUVEQIDNU-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: 236.27 | Molecular Weight (Monoisotopic): 236.0636 | AlogP: 2.85 | #Rotatable Bonds: 3 |
| 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: 2.93 | CX LogD: 2.93 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.70 | Np Likeness Score: 1.24 |
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):