| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5088828
Max Phase: Preclinical
Molecular Formula: C17H14ClF3N2O3S
Molecular Weight: 418.82
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1sc2cc(OCc3cc(C(F)(F)F)nn3C)cc(Cl)c2c1CC(=O)O
Standard InChI: InChI=1S/C17H14ClF3N2O3S/c1-8-11(6-15(24)25)16-12(18)4-10(5-13(16)27-8)26-7-9-3-14(17(19,20)21)22-23(9)2/h3-5H,6-7H2,1-2H3,(H,24,25)
Standard InChI Key: JUAKEXBKQZEKLD-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: 418.82 | Molecular Weight (Monoisotopic): 418.0366 | AlogP: 4.82 | #Rotatable Bonds: 5 |
| Polar Surface Area: 64.35 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.55 | CX Basic pKa: | CX LogP: 4.92 | CX LogD: 2.14 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.64 | Np Likeness Score: -1.27 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):