| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3087187
Max Phase: Preclinical
Molecular Formula: C6H10N2O3
Molecular Weight: 158.16
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1nn(C(C)C)c(=O)o1
Standard InChI: InChI=1S/C6H10N2O3/c1-4(2)8-6(9)11-5(7-8)10-3/h4H,1-3H3
Standard InChI Key: CKEJYGZDWCOCGQ-UHFFFAOYSA-N
Associated Targets(Human)
Monoacylglycerol lipase ABHD12 195 Activities
Monoacylglycerol lipase ABHD6 331 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Monoglyceride lipase 1909 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Anandamide amidohydrolase 3465 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 158.16 | Molecular Weight (Monoisotopic): 158.0691 | AlogP: 0.43 | #Rotatable Bonds: 2 |
| Polar Surface Area: 57.26 | Molecular Species: | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.39 | CX LogD: 1.39 |
| Aromatic Rings: 1 | Heavy Atoms: 11 | QED Weighted: 0.63 | Np Likeness Score: -1.01 |
References
| 1. Patel JZ, Parkkari T, Laitinen T, Kaczor AA, Saario SM, Savinainen JR, Navia-Paldanius D, Cipriano M, Leppänen J, Koshevoy IO, Poso A, Fowler CJ, Laitinen JT, Nevalainen T.. (2013) Chiral 1,3,4-oxadiazol-2-ones as highly selective FAAH inhibitors., 56 (21): [PMID:24083878] [10.1021/jm400923s] |
Source
Source(1):