| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3655069
Max Phase: Preclinical
Molecular Formula: C26H35FN2O2S
Molecular Weight: 458.64
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1
Standard InChI: InChI=1S/C26H35FN2O2S/c1-19(2)29-15-14-22-17-24(12-11-23(22)18-29)32(30,31)28-26-13-10-21(16-25(26)27)9-5-8-20-6-3-4-7-20/h10-13,16-17,19-20,28H,3-9,14-15,18H2,1-2H3
Standard InChI Key: QLMNTKZIHPERKD-UHFFFAOYSA-N
Associated Targets(Human)
2-acylglycerol O-acyltransferase 2 219 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: 458.64 | Molecular Weight (Monoisotopic): 458.2403 | AlogP: 5.91 | #Rotatable Bonds: 8 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.64 | CX Basic pKa: 7.61 | CX LogP: 6.07 | CX LogD: 5.85 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.54 | Np Likeness Score: -1.38 |
References
| 1. (2015) Nitrogen-containing condensed heterocyclic compound, |
Source
Source(1):