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N-(3-Methoxybenzyl)oleamide ID: ALA2415105
Chembl Id: CHEMBL2415105
Cas Number: 883715-21-7
PubChem CID: 73346080
Max Phase: Preclinical
Molecular Formula: C26H43NO2
Molecular Weight: 401.64
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCc1cccc(OC)c1
Standard InChI: InChI=1S/C26H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h10-11,18-20,22H,3-9,12-17,21,23H2,1-2H3,(H,27,28)/b11-10-
Standard InChI Key: ZMKZIKHBSPDWEF-KHPPLWFESA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 401.64Molecular Weight (Monoisotopic): 401.3294AlogP: 7.35#Rotatable Bonds: 18Polar Surface Area: 38.33Molecular Species: NEUTRALHBA: 2HBD: 1#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): 1CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 7.77CX LogD: 7.77Aromatic Rings: 1Heavy Atoms: 29QED Weighted: 0.21Np Likeness Score: -0.12
References 1. Wu H, Kelley CJ, Pino-Figueroa A, Vu HD, Maher TJ.. (2013) Macamides and their synthetic analogs: evaluation of in vitro FAAH inhibition., 21 (17): [PMID:23891163 ] [10.1016/j.bmc.2013.06.034 ] 2. Cunningham CW.. (2019) Plant-Based Modulators of Endocannabinoid Signaling., 82 (3): [PMID:30816712 ] [10.1021/acs.jnatprod.8b00874 ] 3. Singh N,Barnych B,Morisseau C,Wagner KM,Wan D,Takeshita A,Pham H,Xu T,Dandekar A,Liu JY,Hammock BD. (2020) N-Benzyl-linoleamide, a Constituent of Lepidium meyenii (Maca), Is an Orally Bioavailable Soluble Epoxide Hydrolase Inhibitor That Alleviates Inflammatory Pain., 83 (12): [PMID:33320645 ] [10.1021/acs.jnatprod.0c00938 ]