| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093770
Max Phase: Preclinical
Molecular Formula: C20H18F3NO3S
Molecular Weight: 409.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)Cc1csc2cc(OCc3ccc(C(F)(F)F)nc3C)cc(C)c12
Standard InChI: InChI=1S/C20H18F3NO3S/c1-11-6-15(8-16-19(11)14(10-28-16)7-18(25)26-3)27-9-13-4-5-17(20(21,22)23)24-12(13)2/h4-6,8,10H,7,9H2,1-3H3
Standard InChI Key: ZZDBRYBEDWYRCU-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: 409.43 | Molecular Weight (Monoisotopic): 409.0959 | AlogP: 5.23 | #Rotatable Bonds: 5 |
| Polar Surface Area: 48.42 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 1.84 | CX LogP: 4.89 | CX LogD: 4.89 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.54 | Np Likeness Score: -1.13 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):