| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4552756
Max Phase: Preclinical
Molecular Formula: C20H31NO5S
Molecular Weight: 397.54
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCC[S+]([O-])CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC
Standard InChI: InChI=1S/C20H31NO5S/c1-3-4-5-6-10-14-27(24)15-13-18(19(22)25-2)21-20(23)26-16-17-11-8-7-9-12-17/h7-9,11-12,18H,3-6,10,13-16H2,1-2H3,(H,21,23)/t18-,27?/m0/s1
Standard InChI Key: YWFDMSGYYKKJOU-HSYKDVHTSA-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: 397.54 | Molecular Weight (Monoisotopic): 397.1923 | AlogP: 3.56 | #Rotatable Bonds: 13 |
| Polar Surface Area: 87.69 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.19 | CX Basic pKa: | CX LogP: 2.82 | CX LogD: 2.82 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.31 | Np Likeness Score: -0.11 |
References
| 1. (2012) Small molecule inhibitors of ghrelin O-acyltransferase, |
Source
Source(1):