| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1893588
Max Phase: Preclinical
Molecular Formula: C20H32O3
Molecular Weight: 320.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)O
Standard InChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
Standard InChI Key: VBQNSZQZRAGRIX-QNEBEIHSSA-N
Associated Targets(Human)
Regulator of G-protein signaling 4 13867 Activities
Associated Targets(non-human)
Transient receptor potential cation channel subfamily V member 4 46 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 320.47 | Molecular Weight (Monoisotopic): 320.2351 | AlogP: 5.43 | #Rotatable Bonds: 14 |
| Polar Surface Area: 49.83 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.46 | CX Basic pKa: | CX LogP: 5.65 | CX LogD: 2.81 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.26 | Np Likeness Score: 1.75 |
References
| 1. PubChem BioAssay data set, |
| 2. Lawhorn BG, Brnardic EJ, Behm DJ.. (2020) Recent advances in TRPV4 agonists and antagonists., 30 (8): [PMID:32063431] [10.1016/j.bmcl.2020.127022] |
Source
Source(2):