| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3642679
Max Phase: Preclinical
Molecular Formula: C18H24FNO4
Molecular Weight: 337.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1cc(F)ccc1OCC1CCN(C(=O)CC(=O)O)C1
Standard InChI: InChI=1S/C18H24FNO4/c1-18(2,3)14-8-13(19)4-5-15(14)24-11-12-6-7-20(10-12)16(21)9-17(22)23/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,22,23)
Standard InChI Key: KTLLCGZVUMCLKI-UHFFFAOYSA-N
Associated Targets(Human)
Plasma retinol-binding protein 718 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: 337.39 | Molecular Weight (Monoisotopic): 337.1689 | AlogP: 2.83 | #Rotatable Bonds: 5 |
| Polar Surface Area: 66.84 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.59 | CX Basic pKa: | CX LogP: 2.71 | CX LogD: -0.64 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.84 | Np Likeness Score: -1.07 |
References
| 1. (2013) Heterocyclic compound, |
Source
Source(1):