| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5088787
Max Phase: Preclinical
Molecular Formula: C17H14Cl2O5
Molecular Weight: 369.20
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)C1(CO)COc2cc(OCc3ccc(Cl)cc3Cl)ccc21
Standard InChI: InChI=1S/C17H14Cl2O5/c18-11-2-1-10(14(19)5-11)7-23-12-3-4-13-15(6-12)24-9-17(13,8-20)16(21)22/h1-6,20H,7-9H2,(H,21,22)
Standard InChI Key: RISXXEDTYOXFNR-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: 369.20 | Molecular Weight (Monoisotopic): 368.0218 | AlogP: 3.28 | #Rotatable Bonds: 5 |
| Polar Surface Area: 75.99 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.30 | CX Basic pKa: | CX LogP: 3.28 | CX LogD: -0.14 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.85 | Np Likeness Score: -0.05 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):