| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3642677
Max Phase: Preclinical
Molecular Formula: C18H25NO4
Molecular Weight: 319.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccccc1OCC1CCN(C(=O)CC(=O)O)C1
Standard InChI: InChI=1S/C18H25NO4/c1-18(2,3)14-6-4-5-7-15(14)23-12-13-8-9-19(11-13)16(20)10-17(21)22/h4-7,13H,8-12H2,1-3H3,(H,21,22)
Standard InChI Key: JBYMTVTUASEWJL-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: 319.40 | Molecular Weight (Monoisotopic): 319.1784 | AlogP: 2.69 | #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: 3.64 | CX Basic pKa: | CX LogP: 2.56 | CX LogD: -0.76 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.85 | Np Likeness Score: -0.84 |
References
| 1. (2013) Heterocyclic compound, |
Source
Source(1):