| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5092732
Max Phase: Preclinical
Molecular Formula: C18H12ClF4NO3S
Molecular Weight: 433.81
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)csc2c1F
Standard InChI: InChI=1S/C18H12ClF4NO3S/c1-8-9(2-3-13(24-8)18(21,22)23)6-27-12-5-11(19)15-10(4-14(25)26)7-28-17(15)16(12)20/h2-3,5,7H,4,6H2,1H3,(H,25,26)
Standard InChI Key: WONJBKJGEDFJMO-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: 433.81 | Molecular Weight (Monoisotopic): 433.0163 | AlogP: 5.62 | #Rotatable Bonds: 5 |
| Polar Surface Area: 59.42 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.15 | CX Basic pKa: 1.84 | CX LogP: 4.98 | CX LogD: 1.91 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.53 | Np Likeness Score: -1.25 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):