| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2287378
Max Phase: Preclinical
Molecular Formula: C11H21O3PS
Molecular Weight: 264.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC12COP(=S)(OC1)OC2C(C)(C)C
Standard InChI: InChI=1S/C11H21O3PS/c1-5-6-11-7-12-15(16,13-8-11)14-9(11)10(2,3)4/h9H,5-8H2,1-4H3
Standard InChI Key: IKFUNCSJXHMEDX-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: 264.33 | Molecular Weight (Monoisotopic): 264.0949 | AlogP: 3.49 | #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: 3.67 | CX LogD: 3.67 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.71 | Np Likeness Score: 0.85 |
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):