| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4112336
Max Phase: Preclinical
Molecular Formula: C19H30O2
Molecular Weight: 290.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CCC4C3CC1CC[C@@]21CO1
Standard InChI: InChI=1S/C19H30O2/c1-18-10-13-3-2-12-8-15(20)4-5-16(12)17(13)9-14(18)6-7-19(18)11-21-19/h12-17,20H,2-11H2,1H3/t12-,13-,14?,15+,16?,17?,18+,19-/m1/s1
Standard InChI Key: SNQUVMKPORCQAB-XPYINMIESA-N
Associated Targets(non-human)
GABA receptor alpha-4 subunit 24 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: 290.45 | Molecular Weight (Monoisotopic): 290.2246 | AlogP: 3.77 | #Rotatable Bonds: 0 |
| Polar Surface Area: 32.76 | 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: 3.30 | CX LogD: 3.30 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.69 | Np Likeness Score: 2.55 |
References
| 1. (2016) Neuroactive substituted cyclopenta[b]phenanthrenes as modulators for GABA type-A receptors, |
Source
Source(1):