| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5089006
Max Phase: Preclinical
Molecular Formula: C19H15ClF3NO3S
Molecular Weight: 429.85
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)c(C)sc2c1
Standard InChI: InChI=1S/C19H15ClF3NO3S/c1-9-11(3-4-16(24-9)19(21,22)23)8-27-12-5-14(20)18-13(7-17(25)26)10(2)28-15(18)6-12/h3-6H,7-8H2,1-2H3,(H,25,26)
Standard InChI Key: NNOMHSCTGZKVIP-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: 429.85 | Molecular Weight (Monoisotopic): 429.0413 | AlogP: 5.79 | #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: 4.53 | CX Basic pKa: 1.84 | CX LogP: 5.48 | CX LogD: 2.69 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.56 | Np Likeness Score: -1.25 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):