| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4553581
Max Phase: Preclinical
Molecular Formula: C22H33NO5
Molecular Weight: 391.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(C)(O)/C=C/[C@@H](NC(=O)OCc1ccccc1)C(=O)OC
Standard InChI: InChI=1S/C22H33NO5/c1-4-5-6-7-11-15-22(2,26)16-14-19(20(24)27-3)23-21(25)28-17-18-12-9-8-10-13-18/h8-10,12-14,16,19,26H,4-7,11,15,17H2,1-3H3,(H,23,25)/b16-14+/t19-,22?/m1/s1
Standard InChI Key: WODFTDUWTSIUTP-OLPVLWPKSA-N
Associated Targets(non-human)
Ghrelin O-acyltransferase 37 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: 391.51 | Molecular Weight (Monoisotopic): 391.2359 | AlogP: 4.12 | #Rotatable Bonds: 12 |
| Polar Surface Area: 84.86 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.33 | CX Basic pKa: | CX LogP: 4.65 | CX LogD: 4.65 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.32 | Np Likeness Score: 0.62 |
References
| 1. (2012) Small molecule inhibitors of ghrelin O-acyltransferase, |
Source
Source(1):