| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4110480
Max Phase: Preclinical
Molecular Formula: C20H32O2
Molecular Weight: 304.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)[C@H]1CCC2CC3C(CCC4C[C@H](O)CCC43)C[C@@]21C
Standard InChI: InChI=1S/C20H32O2/c1-12(21)19-8-5-15-10-18-14(11-20(15,19)2)4-3-13-9-16(22)6-7-17(13)18/h13-19,22H,3-11H2,1-2H3/t13?,14?,15?,16-,17?,18?,19-,20+/m1/s1
Standard InChI Key: KXCHDAGXEWESFX-WXGVBIQWSA-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: 304.47 | Molecular Weight (Monoisotopic): 304.2402 | AlogP: 4.21 | #Rotatable Bonds: 1 |
| 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: 3.69 | CX LogD: 3.69 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.79 | Np Likeness Score: 2.18 |
References
| 1. (2016) Neuroactive substituted cyclopenta[b]phenanthrenes as modulators for GABA type-A receptors, |
Source
Source(1):