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ID: ALA2324495
Max Phase: Preclinical
Molecular Formula: C23H47NO2
Molecular Weight: 369.63
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)C(C)C
Standard InChI: InChI=1S/C23H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-22(20-25)21(2)3/h21-22,25H,4-20H2,1-3H3,(H,24,26)/t22-/m1/s1
Standard InChI Key: MMCXZFJBICWBED-JOCHJYFZSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 369.63 | Molecular Weight (Monoisotopic): 369.3607 | AlogP: 6.38 | #Rotatable Bonds: 19 |
| Polar Surface Area: 49.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.18 | CX LogD: 7.18 |
| Aromatic Rings: 0 | Heavy Atoms: 26 | QED Weighted: 0.26 | Np Likeness Score: 0.18 |
References
| 1. Avraham Y, Katzhendler J, Vorobeiv L, Merchavia S, Listman C, Kunkes E, Harfoush F, Salameh S, Ezra AF, Grigoriadis NC, Berry EM, Najajreh Y.. (2013) Novel acylethanolamide derivatives that modulate body weight through enhancement of hypothalamic pro-opiomelanocortin (POMC) and/or decreased neuropeptide Y (NPY)., 56 (5): [PMID:23384387] [10.1021/jm300484d] |
