| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5084232
Max Phase: Preclinical
Molecular Formula: C18H16ClF3N2O3S
Molecular Weight: 432.85
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)Cc1c(C)sc2cc(OCc3cc(C(F)(F)F)nn3C)cc(Cl)c12
Standard InChI: InChI=1S/C18H16ClF3N2O3S/c1-9-12(7-16(25)26-3)17-13(19)5-11(6-14(17)28-9)27-8-10-4-15(18(20,21)22)23-24(10)2/h4-6H,7-8H2,1-3H3
Standard InChI Key: XUPYXOSQDLVZFY-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: 432.85 | Molecular Weight (Monoisotopic): 432.0522 | AlogP: 4.91 | #Rotatable Bonds: 5 |
| Polar Surface Area: 53.35 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.06 | CX LogD: 5.06 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.54 | Np Likeness Score: -1.30 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):