| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269646
Max Phase: Preclinical
Molecular Formula: C26H22N2O2
Molecular Weight: 394.47
Associated Items:
Representations
Canonical SMILES: CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc(-c2ccccc2)cc1
Standard InChI: InChI=1S/C26H22N2O2/c1-28(19-20-6-5-9-24(18-20)23-14-16-27-17-15-23)26(29)30-25-12-10-22(11-13-25)21-7-3-2-4-8-21/h2-18H,19H2,1H3
Standard InChI Key: CDDYEXHMEHZNPY-UHFFFAOYSA-N
Associated Targets(Human)
Monoacylglycerol lipase ABHD6 331 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 394.47 | Molecular Weight (Monoisotopic): 394.1681 | AlogP: 6.05 | #Rotatable Bonds: 5 |
| Polar Surface Area: 42.43 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.06 | CX LogP: 5.50 | CX LogD: 5.49 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.41 | Np Likeness Score: -0.83 |
References
| 1. 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):