The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
(2R,3R)-2-Hydroxymethyl-5-oxo-tetrahydro-furan-3-carboxylic acid tetradecyl ester ID: ALA28486
Chembl Id: CHEMBL28486
PubChem CID: 44278054
Max Phase: Preclinical
Molecular Formula: C20H36O5
Molecular Weight: 356.50
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCCCCCCCCCCCCOC(=O)[C@@H]1CC(=O)O[C@H]1CO
Standard InChI: InChI=1S/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-20(23)17-15-19(22)25-18(17)16-21/h17-18,21H,2-16H2,1H3/t17-,18+/m1/s1
Standard InChI Key: YHAJQFWQXDADHR-MSOLQXFVSA-N
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
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
Calculated Properties Molecular Weight: 356.50Molecular Weight (Monoisotopic): 356.2563AlogP: 4.15#Rotatable Bonds: 15Polar Surface Area: 72.83Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 4.81CX LogD: 4.81Aromatic Rings: ┄Heavy Atoms: 25QED Weighted: 0.35Np Likeness Score: 0.83
References 1. Lee J, Sharma R, Teng K, Lewin NE, Blumberg PM, Marquez VE. (1994) Conformationally constrained analogues of dag .8. Changes in PK-C binding affinity produced by isosteric groups of the 3-O-acyl function in 2-deoxy-L-ribonolactones, 4 (11): [10.1016/S0960-894X(01)80364-4 ]