| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5092553
Max Phase: Preclinical
Molecular Formula: C18H10ClF4NO4S
Molecular Weight: 447.79
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)Cc1csc2c(F)c(O[C@@H]3COc4nc(C(F)(F)F)ccc43)cc(Cl)c12
Standard InChI: InChI=1S/C18H10ClF4NO4S/c19-9-4-10(15(20)16-14(9)7(6-29-16)3-13(25)26)28-11-5-27-17-8(11)1-2-12(24-17)18(21,22)23/h1-2,4,6,11H,3,5H2,(H,25,26)/t11-/m1/s1
Standard InChI Key: WYDPSHZQLAAEDF-LLVKDONJSA-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: 447.79 | Molecular Weight (Monoisotopic): 446.9955 | AlogP: 5.25 | #Rotatable Bonds: 4 |
| Polar Surface Area: 68.65 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.06 | CX Basic pKa: | CX LogP: 5.17 | CX LogD: 2.05 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.55 | Np Likeness Score: -0.78 |
References
| 1. (2019) Ghrelin o-acyltransferase inhibitors, |
Source
Source(1):