| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2001266
Max Phase: Preclinical
Molecular Formula: C10H14O2
Molecular Weight: 166.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2
Standard InChI: InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2/t6-,7-,8+,10-
Standard InChI Key: TZBDEVBNMSLVKT-XYYXLIQBSA-N
Associated Targets(non-human)
Peripheral myelin protein 22 1279 Activities
Molecule Features
| Natural Product: Yes | 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: 166.22 | Molecular Weight (Monoisotopic): 166.0994 | AlogP: 1.13 | #Rotatable Bonds: 0 |
| Polar Surface Area: 37.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.91 | CX LogD: 0.91 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.59 | Np Likeness Score: 0.52 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):