ID: ALA5196194
Chembl Id: CHEMBL5196194
PubChem CID: 168285897
Max Phase: Preclinical
Molecular Formula: C17H23NO2
Molecular Weight: 273.38
Associated Items:
Canonical SMILES: CCCCCCCc1cc(=O)c2cc(OC)ccc2[nH]1
Standard InChI: InChI=1S/C17H23NO2/c1-3-4-5-6-7-8-13-11-17(19)15-12-14(20-2)9-10-16(15)18-13/h9-12H,3-8H2,1-2H3,(H,18,19)
Standard InChI Key: DNLMHCXOABOKQI-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 273.38 | Molecular Weight (Monoisotopic): 273.1729 | AlogP: 4.05 | #Rotatable Bonds: 7 |
| Polar Surface Area: 42.09 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.21 | CX LogP: 4.74 | CX LogD: 4.74 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.77 | Np Likeness Score: 0.16 |
| 1. Giorgioni G, Del Bello F, Quaglia W, Botticelli L, Cifani C, Micioni Di Bonaventura E, Micioni Di Bonaventura MV, Piergentili A.. (2022) Advances in the Development of Nonpeptide Small Molecules Targeting Ghrelin Receptor., 65 (4.0): [PMID:35157454] [10.1021/acs.jmedchem.1c02191] |
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