| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5089778
Max Phase: Preclinical
Molecular Formula: C18H13F4NO3S
Molecular Weight: 399.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(C(F)(F)F)ccc1COc1cc(F)c2c(CC(=O)O)csc2c1
Standard InChI: InChI=1S/C18H13F4NO3S/c1-9-10(2-3-15(23-9)18(20,21)22)7-26-12-5-13(19)17-11(4-16(24)25)8-27-14(17)6-12/h2-3,5-6,8H,4,7H2,1H3,(H,24,25)
Standard InChI Key: KOAKAWDSJHNYSJ-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: 399.37 | Molecular Weight (Monoisotopic): 399.0552 | AlogP: 4.97 | #Rotatable Bonds: 5 |
| Polar Surface Area: 59.42 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.39 | CX Basic pKa: 1.84 | CX LogP: 4.37 | CX LogD: 1.48 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.62 | Np Likeness Score: -1.29 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):