| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5091661
Max Phase: Preclinical
Molecular Formula: C20H27NO
Molecular Weight: 297.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C(C#N)=C[C@]3(C)[C@H]1CC2
Standard InChI: InChI=1S/C20H27NO/c1-19-8-3-4-16(19)15-6-5-14-10-18(22)13(12-21)11-20(14,2)17(15)7-9-19/h11,14-17H,3-10H2,1-2H3/t14-,15-,16-,17-,19-,20-/m0/s1
Standard InChI Key: IWDCXOKCJYHVAW-BGZMIMFDSA-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: 297.44 | Molecular Weight (Monoisotopic): 297.2093 | AlogP: 4.66 | #Rotatable Bonds: 0 |
| Polar Surface Area: 40.86 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.45 | CX LogD: 4.45 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.65 | Np Likeness Score: 1.86 |
References
| 1. (2019) Human ghrelin o-acyltransferase inhibitors, |
Source
Source(1):