| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2134713
Max Phase: Preclinical
Molecular Formula: C28H25F3N4O
Molecular Weight: 490.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N1CCCCC1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3C(F)(F)F)cc2)nn1
Standard InChI: InChI=1S/C28H25F3N4O/c29-28(30,31)25-12-5-4-11-24(25)21-13-15-22(16-14-21)26-19-35(33-32-26)27(36)34-17-7-6-10-23(34)18-20-8-2-1-3-9-20/h1-5,8-9,11-16,19,23H,6-7,10,17-18H2
Standard InChI Key: CHUNFBNXGRZWFC-UHFFFAOYSA-N
Associated Targets(non-human)
Sn1-specific diacylglycerol lipase beta 48 Activities
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: 490.53 | Molecular Weight (Monoisotopic): 490.1980 | AlogP: 6.70 | #Rotatable Bonds: 4 |
| Polar Surface Area: 51.02 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.81 | CX LogD: 6.81 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.32 | Np Likeness Score: -0.93 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):