| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5078752
Max Phase: Preclinical
Molecular Formula: C17H14F4N2O3S
Molecular Weight: 402.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)Cc1csc2cc(OCc3cc(C(F)(F)F)nn3C)cc(F)c12
Standard InChI: InChI=1S/C17H14F4N2O3S/c1-23-10(4-14(22-23)17(19,20)21)7-26-11-5-12(18)16-9(3-15(24)25-2)8-27-13(16)6-11/h4-6,8H,3,7H2,1-2H3
Standard InChI Key: NVEDKECZVBPZBG-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: 402.37 | Molecular Weight (Monoisotopic): 402.0661 | AlogP: 4.09 | #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: 3.95 | CX LogD: 3.95 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.48 | Np Likeness Score: -1.31 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):