| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093486
Max Phase: Preclinical
Molecular Formula: C18H15F3N2O3S
Molecular Weight: 396.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(C(F)(F)F)ncc1COc1cc(C)c2c(CC(=O)O)csc2c1
Standard InChI: InChI=1S/C18H15F3N2O3S/c1-9-3-13(5-14-16(9)11(8-27-14)4-15(24)25)26-7-12-6-22-17(18(19,20)21)23-10(12)2/h3,5-6,8H,4,7H2,1-2H3,(H,24,25)
Standard InChI Key: YMDDFQQZRLMQIK-UHFFFAOYSA-N
Associated Targets(Human)
Ghrelin O-acyltransferase 125 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: 396.39 | Molecular Weight (Monoisotopic): 396.0755 | AlogP: 4.53 | #Rotatable Bonds: 5 |
| Polar Surface Area: 72.31 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.67 | CX Basic pKa: | CX LogP: 4.36 | CX LogD: 1.69 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.69 | Np Likeness Score: -1.12 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):