| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277451
Max Phase: Preclinical
Molecular Formula: C16H33NO2
Molecular Weight: 271.44
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCC(=O)NCCO
Standard InChI: InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)
Standard InChI Key: JHIXEZNTXMFXEK-UHFFFAOYSA-N
Associated Targets(Human)
NAD-dependent protein deacetylase sirtuin-6 671 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 271.44 | Molecular Weight (Monoisotopic): 271.2511 | AlogP: 3.80 | #Rotatable Bonds: 14 |
| Polar Surface Area: 49.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.09 | CX LogD: 4.09 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.47 | Np Likeness Score: -0.09 |
References
| 1. Fiorentino F, Mai A, Rotili D.. (2021) Emerging Therapeutic Potential of SIRT6 Modulators., 64 (14.0): [PMID:34213345] [10.1021/acs.jmedchem.1c00601] |
Source
Source(1):