| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4579550
Max Phase: Preclinical
Molecular Formula: C24H38N2O4
Molecular Weight: 418.58
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C
Standard InChI: InChI=1S/C24H38N2O4/c1-5-6-7-8-12-16-24(4,29)17-15-21(22(27)25-19(2)3)26-23(28)30-18-20-13-10-9-11-14-20/h9-11,13-15,17,19,21,29H,5-8,12,16,18H2,1-4H3,(H,25,27)(H,26,28)/b17-15+/t21-,24?/m0/s1
Standard InChI Key: ZTGUBPKGOULVQD-XUDJOBQJSA-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: 418.58 | Molecular Weight (Monoisotopic): 418.2832 | AlogP: 4.47 | #Rotatable Bonds: 13 |
| Polar Surface Area: 87.66 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.56 | CX Basic pKa: | CX LogP: 4.70 | CX LogD: 4.70 |
| Aromatic Rings: 1 | Heavy Atoms: 30 | QED Weighted: 0.33 | Np Likeness Score: 0.38 |
References
| 1. (2012) Small molecule inhibitors of ghrelin O-acyltransferase, |
Source
Source(1):