| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5092705
Max Phase: Preclinical
Molecular Formula: C16H15ClN2O3S
Molecular Weight: 350.83
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(COc2cc(Cl)c3c(CC(=O)O)csc3c2)n(C)n1
Standard InChI: InChI=1S/C16H15ClN2O3S/c1-9-3-11(19(2)18-9)7-22-12-5-13(17)16-10(4-15(20)21)8-23-14(16)6-12/h3,5-6,8H,4,7H2,1-2H3,(H,20,21)
Standard InChI Key: SUUWRFLMCCUZEX-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: 350.83 | Molecular Weight (Monoisotopic): 350.0492 | AlogP: 3.80 | #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: 4.40 | CX Basic pKa: 2.90 | CX LogP: 2.95 | CX LogD: 0.24 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.76 | Np Likeness Score: -1.38 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):