| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094889
Max Phase: Preclinical
Molecular Formula: C19H17NO2S
Molecular Weight: 323.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(/C=C/c2ccc3c(CC(=O)O)csc3c2)c(C)n1
Standard InChI: InChI=1S/C19H17NO2S/c1-12-3-6-15(13(2)20-12)7-4-14-5-8-17-16(10-19(21)22)11-23-18(17)9-14/h3-9,11H,10H2,1-2H3,(H,21,22)/b7-4+
Standard InChI Key: VBNPIIULHCGXMY-QPJJXVBHSA-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: 323.42 | Molecular Weight (Monoisotopic): 323.0980 | AlogP: 4.71 | #Rotatable Bonds: 4 |
| Polar Surface Area: 50.19 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.86 | CX Basic pKa: 6.31 | CX LogP: 2.33 | CX LogD: 1.42 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.76 | Np Likeness Score: -0.55 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):