| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094744
Max Phase: Preclinical
Molecular Formula: C17H14Cl2O4
Molecular Weight: 353.20
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)C[C@H]1COc2cc(OCc3ccc(Cl)cc3Cl)ccc21
Standard InChI: InChI=1S/C17H14Cl2O4/c18-12-2-1-10(15(19)6-12)8-22-13-3-4-14-11(5-17(20)21)9-23-16(14)7-13/h1-4,6-7,11H,5,8-9H2,(H,20,21)/t11-/m0/s1
Standard InChI Key: MJCPXMPVDSNURB-NSHDSACASA-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: 353.20 | Molecular Weight (Monoisotopic): 352.0269 | AlogP: 4.52 | #Rotatable Bonds: 5 |
| Polar Surface Area: 55.76 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.71 | CX Basic pKa: | CX LogP: 4.12 | CX LogD: 0.82 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.86 | Np Likeness Score: -0.19 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):