| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3655074
Max Phase: Preclinical
Molecular Formula: C30H39FN2O4S
Molecular Weight: 542.72
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(OC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1
Standard InChI: InChI=1S/C30H39FN2O4S/c31-28-19-23(10-6-9-22-7-4-5-8-22)13-16-29(28)32-38(35,36)27-15-14-25-21-33(18-17-24(25)20-27)30(34)37-26-11-2-1-3-12-26/h13-16,19-20,22,26,32H,1-12,17-18,21H2
Standard InChI Key: IVZRDIRGYVOUAI-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: 542.72 | Molecular Weight (Monoisotopic): 542.2615 | AlogP: 6.97 | #Rotatable Bonds: 8 |
| Polar Surface Area: 75.71 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 8.54 | CX Basic pKa: | CX LogP: 7.23 | CX LogD: 7.21 |
| Aromatic Rings: 2 | Heavy Atoms: 38 | QED Weighted: 0.39 | Np Likeness Score: -1.11 |
References
| 1. (2015) Nitrogen-containing condensed heterocyclic compound, |
Source
Source(1):