| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4580041
Max Phase: Preclinical
Molecular Formula: C17H23NO5
Molecular Weight: 321.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCC(C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC
Standard InChI: InChI=1S/C17H23NO5/c1-4-17(2,21)11-10-14(15(19)22-3)18-16(20)23-12-13-8-6-5-7-9-13/h5-11,14,21H,4,12H2,1-3H3,(H,18,20)/b11-10+/t14-,17?/m0/s1
Standard InChI Key: REWHYTQTQVFOAZ-XSTCBLGQSA-N
Associated Targets(non-human)
Ghrelin O-acyltransferase 37 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 321.37 | Molecular Weight (Monoisotopic): 321.1576 | AlogP: 2.17 | #Rotatable Bonds: 7 |
| Polar Surface Area: 84.86 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.29 | CX Basic pKa: | CX LogP: 2.43 | CX LogD: 2.43 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.59 | Np Likeness Score: 0.32 |
References
| 1. (2012) Small molecule inhibitors of ghrelin O-acyltransferase, |
Source
Source(1):