| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5092096
Max Phase: Preclinical
Molecular Formula: C20H17ClF3NO3S
Molecular Weight: 443.87
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)Cc1c(C)sc2cc(OCc3ccc(C(F)(F)F)nc3C)cc(Cl)c12
Standard InChI: InChI=1S/C20H17ClF3NO3S/c1-10-12(4-5-17(25-10)20(22,23)24)9-28-13-6-15(21)19-14(8-18(26)27-3)11(2)29-16(19)7-13/h4-7H,8-9H2,1-3H3
Standard InChI Key: ONVNWNOTTYJOCP-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: 443.87 | Molecular Weight (Monoisotopic): 443.0570 | AlogP: 5.88 | #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: 5.63 | CX LogD: 5.63 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.46 | Np Likeness Score: -1.28 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):