| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4585229
Max Phase: Preclinical
Molecular Formula: C19H35NO5
Molecular Weight: 357.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(C)(O)/C=C/[C@H](NC(=O)C(C)(C)CO)C(=O)OC
Standard InChI: InChI=1S/C19H35NO5/c1-6-7-8-9-10-12-19(4,24)13-11-15(16(22)25-5)20-17(23)18(2,3)14-21/h11,13,15,21,24H,6-10,12,14H2,1-5H3,(H,20,23)/b13-11+/t15-,19?/m0/s1
Standard InChI Key: AIXCNRAGZJBODF-OTMVUBOWSA-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: 357.49 | Molecular Weight (Monoisotopic): 357.2515 | AlogP: 2.33 | #Rotatable Bonds: 12 |
| Polar Surface Area: 95.86 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.31 | CX Basic pKa: | CX LogP: 2.83 | CX LogD: 2.83 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.28 | Np Likeness Score: 1.02 |
References
| 1. (2012) Small molecule inhibitors of ghrelin O-acyltransferase, |
Source
Source(1):