| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5092228
Max Phase: Preclinical
Molecular Formula: C18H16Cl2O5
Molecular Weight: 383.23
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COCC1(C(=O)O)COc2cc(OCc3ccc(Cl)cc3Cl)ccc21
Standard InChI: InChI=1S/C18H16Cl2O5/c1-23-9-18(17(21)22)10-25-16-7-13(4-5-14(16)18)24-8-11-2-3-12(19)6-15(11)20/h2-7H,8-10H2,1H3,(H,21,22)
Standard InChI Key: YHCKILJRFFAXDF-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: 383.23 | Molecular Weight (Monoisotopic): 382.0375 | AlogP: 3.93 | #Rotatable Bonds: 6 |
| Polar Surface Area: 64.99 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.40 | CX Basic pKa: | CX LogP: 3.93 | CX LogD: 0.52 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.82 | Np Likeness Score: -0.03 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):