| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA230968
Max Phase: Preclinical
Molecular Formula: C19H34O3
Molecular Weight: 310.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCC/C=C\CCCCCCCC(=O)OCC1CO1
Standard InChI: InChI=1S/C19H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)22-17-18-16-21-18/h7-8,18H,2-6,9-17H2,1H3/b8-7-
Standard InChI Key: FWEHVPCBXKCYHE-FPLPWBNLSA-N
Associated Targets(non-human)
Mgll Monoglyceride lipase (465 Activities)
Faah Anandamide amidohydrolase (3907 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Abhd6 Monoacylglycerol lipase ABHD6 (221 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Faah Anandamide amidohydrolase (476 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: 310.48 | Molecular Weight (Monoisotopic): 310.2508 | AlogP: 5.19 | #Rotatable Bonds: 15 |
| Polar Surface Area: 38.83 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.88 | CX LogD: 5.88 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.18 | Np Likeness Score: 0.87 |
References
| 1. Cisneros JA, Vandevoorde S, Ortega-Gutiérrez S, Paris C, Fowler CJ, López-Rodríguez ML.. (2007) Structure-activity relationship of a series of inhibitors of monoacylglycerol hydrolysis--comparison with effects upon fatty acid amide hydrolase., 50 (20): [PMID:17764163] [10.1021/jm070642y] |
| 2. Deng H, Li W.. (2020) Therapeutic potential of targeting α/β-Hydrolase domain-containing 6 (ABHD6)., 198 [PMID:32371333] [10.1016/j.ejmech.2020.112353] |
Source
Source(1):