| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4568157
Max Phase: Preclinical
Molecular Formula: C20H31NO3
Molecular Weight: 333.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(C)(O)/C=C/CNC(=O)OCc1ccccc1
Standard InChI: InChI=1S/C20H31NO3/c1-3-4-5-6-10-14-20(2,23)15-11-16-21-19(22)24-17-18-12-8-7-9-13-18/h7-9,11-13,15,23H,3-6,10,14,16-17H2,1-2H3,(H,21,22)/b15-11+
Standard InChI Key: UIUJODROLDVQEQ-RVDMUPIBSA-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: 333.47 | Molecular Weight (Monoisotopic): 333.2304 | AlogP: 4.58 | #Rotatable Bonds: 11 |
| Polar Surface Area: 58.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.82 | CX LogD: 4.82 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.46 | Np Likeness Score: 0.71 |
References
| 1. (2012) Small molecule inhibitors of ghrelin O-acyltransferase, |
Source
Source(1):