| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5086410
Max Phase: Preclinical
Molecular Formula: C19H18Cl2O4
Molecular Weight: 381.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(OCc2ccc(Cl)cc2Cl)c(C)c2c1C(CC(=O)O)CO2
Standard InChI: InChI=1S/C19H18Cl2O4/c1-10-5-16(24-8-12-3-4-14(20)7-15(12)21)11(2)19-18(10)13(9-25-19)6-17(22)23/h3-5,7,13H,6,8-9H2,1-2H3,(H,22,23)
Standard InChI Key: OATKLYHFOJERDE-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: 381.25 | Molecular Weight (Monoisotopic): 380.0582 | AlogP: 5.14 | #Rotatable Bonds: 5 |
| Polar Surface Area: 55.76 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.00 | CX Basic pKa: | CX LogP: 5.15 | CX LogD: 1.99 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.78 | Np Likeness Score: -0.18 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):