| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093435
Max Phase: Preclinical
Molecular Formula: C17H12Cl2O3S2
Molecular Weight: 399.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)Cc1csc2cc([S+]([O-])Cc3ccc(Cl)cc3Cl)ccc12
Standard InChI: InChI=1S/C17H12Cl2O3S2/c18-12-2-1-10(15(19)6-12)9-24(22)13-3-4-14-11(5-17(20)21)8-23-16(14)7-13/h1-4,6-8H,5,9H2,(H,20,21)
Standard InChI Key: SYIKDTRKXKWOEW-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: 399.32 | Molecular Weight (Monoisotopic): 397.9605 | AlogP: 5.14 | #Rotatable Bonds: 5 |
| Polar Surface Area: 60.36 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.18 | CX Basic pKa: | CX LogP: 4.31 | CX LogD: 1.26 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.60 | Np Likeness Score: -0.83 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):