| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4450705
Max Phase: Preclinical
Molecular Formula: C26H36O5
Molecular Weight: 428.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)[C@]12C[C@@H](OCCO)[C@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1
Standard InChI: InChI=1S/C26H36O5/c1-17(2)26-16-21(29-15-14-27)25(4,31-26)20-12-10-18(3)23(20)24(26)30-22(28)13-11-19-8-6-5-7-9-19/h5-9,11,13,17-18,20-21,23-24,27H,10,12,14-16H2,1-4H3/b13-11+/t18-,20-,21-,23-,24+,25-,26+/m1/s1
Standard InChI Key: VSRTWNNMJPDXQM-CHJONEGKSA-N
Associated Targets(Human)
TRPC4/TRPC1 20 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: 428.57 | Molecular Weight (Monoisotopic): 428.2563 | AlogP: 4.24 | #Rotatable Bonds: 7 |
| Polar Surface Area: 64.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.71 | CX LogD: 4.71 |
| Aromatic Rings: 1 | Heavy Atoms: 31 | QED Weighted: 0.52 | Np Likeness Score: 2.34 |
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):