| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4567792
Max Phase: Preclinical
Molecular Formula: C21H35NO3
Molecular Weight: 349.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C=C[C@](C)(O)CC[C@H]1C(=C)C[C@H](OC(N)=O)[C@H]2C(C)(C)CCC[C@]12C
Standard InChI: InChI=1S/C21H35NO3/c1-7-20(5,24)12-9-15-14(2)13-16(25-18(22)23)17-19(3,4)10-8-11-21(15,17)6/h7,15-17,24H,1-2,8-13H2,3-6H3,(H2,22,23)/t15-,16-,17-,20-,21+/m0/s1
Standard InChI Key: AYUNKKNCHLXEPI-YRJWVXGYSA-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: 349.52 | Molecular Weight (Monoisotopic): 349.2617 | AlogP: 4.58 | #Rotatable Bonds: 5 |
| Polar Surface Area: 72.55 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.10 | CX LogD: 4.10 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.71 | Np Likeness Score: 3.20 |
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):