| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094560
Max Phase: Preclinical
Molecular Formula: C18H17NO3S
Molecular Weight: 327.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(COc2ccc3c(CC(=O)O)csc3c2)c(C)n1
Standard InChI: InChI=1S/C18H17NO3S/c1-11-3-4-13(12(2)19-11)9-22-15-5-6-16-14(7-18(20)21)10-23-17(16)8-15/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)
Standard InChI Key: ZKZLDPVJSXLTKP-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: 327.41 | Molecular Weight (Monoisotopic): 327.0929 | AlogP: 4.12 | #Rotatable Bonds: 5 |
| Polar Surface Area: 59.42 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.59 | CX Basic pKa: 6.22 | CX LogP: 1.49 | CX LogD: 0.44 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.77 | Np Likeness Score: -1.05 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):