| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4458930
Max Phase: Preclinical
Molecular Formula: C23H37NO4
Molecular Weight: 391.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C=C[C@@](C)(CC[C@H]1C(=C)C[C@H](OC(N)=O)[C@H]2C(C)(C)CCC[C@]12C)OC(C)=O
Standard InChI: InChI=1S/C23H37NO4/c1-8-22(6,28-16(3)25)13-10-17-15(2)14-18(27-20(24)26)19-21(4,5)11-9-12-23(17,19)7/h8,17-19H,1-2,9-14H2,3-7H3,(H2,24,26)/t17-,18-,19-,22-,23+/m0/s1
Standard InChI Key: YDVLOFOGXNNWRE-CTOYRMGLSA-N
Associated Targets(Human)
Short transient receptor potential channel 6 65 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 391.55 | Molecular Weight (Monoisotopic): 391.2723 | AlogP: 5.15 | #Rotatable Bonds: 6 |
| Polar Surface Area: 78.62 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.54 | CX LogD: 4.54 |
| Aromatic Rings: 0 | Heavy Atoms: 28 | QED Weighted: 0.50 | Np Likeness Score: 2.94 |
References
| 1. Sharma S, Hopkins CR.. (2019) Review of Transient Receptor Potential Canonical (TRPC5) Channel Modulators and Diseases., 62 (17): [PMID:30943030] [10.1021/acs.jmedchem.8b01954] |
Source
Source(1):