| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5092988
Max Phase: Preclinical
Molecular Formula: C16H11ClF4N2O3S
Molecular Weight: 422.79
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cn1nc(C(F)(F)F)cc1COc1cc(Cl)c2c(CC(=O)O)csc2c1F
Standard InChI: InChI=1S/C16H11ClF4N2O3S/c1-23-8(3-11(22-23)16(19,20)21)5-26-10-4-9(17)13-7(2-12(24)25)6-27-15(13)14(10)18/h3-4,6H,2,5H2,1H3,(H,24,25)
Standard InChI Key: SOIATEVHZRUFAG-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: 422.79 | Molecular Weight (Monoisotopic): 422.0115 | AlogP: 4.65 | #Rotatable Bonds: 5 |
| Polar Surface Area: 64.35 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.16 | CX Basic pKa: | CX LogP: 4.41 | CX LogD: 1.35 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.61 | Np Likeness Score: -1.26 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):