| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4783745
Max Phase: Preclinical
Molecular Formula: C29H23N3O6S
Molecular Weight: 541.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(C(=O)NS(=O)(=O)c3ccccc3)ccc21
Standard InChI: InChI=1S/C29H23N3O6S/c33-23(20-37-24-12-14-26(15-13-24)38-25-7-3-1-4-8-25)19-32-28-16-11-21(17-22(28)18-30-32)29(34)31-39(35,36)27-9-5-2-6-10-27/h1-18H,19-20H2,(H,31,34)
Standard InChI Key: SMDHCYWSACGUBB-UHFFFAOYSA-N
Associated Targets(non-human)
Anandamide amidohydrolase 3907 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: 541.59 | Molecular Weight (Monoisotopic): 541.1308 | AlogP: 4.60 | #Rotatable Bonds: 10 |
| Polar Surface Area: 116.59 | Molecular Species: ACID | HBA: 8 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.29 | CX Basic pKa: 1.10 | CX LogP: 4.69 | CX LogD: 3.75 |
| Aromatic Rings: 5 | Heavy Atoms: 39 | QED Weighted: 0.27 | Np Likeness Score: -1.24 |
References
| 1. Tripathi RKP. (2020) A perspective review on fatty acid amide hydrolase (FAAH) inhibitors as potential therapeutic agents., 188 [PMID:31945644] [10.1016/j.ejmech.2019.111953] |
Source
Source(1):