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.
2-amino-2-(1-octyl-1H-1,2,3-triazol-4-yl)propane-1,3-diol ID: ALA5273927
Chembl Id: CHEMBL5273927
Max Phase: Preclinical
Molecular Formula: C13H26N4O2
Molecular Weight: 270.38
Associated Items:
Names and Identifiers Canonical SMILES: CCCCCCCCn1cc(C(N)(CO)CO)nn1
Standard InChI: InChI=1S/C13H26N4O2/c1-2-3-4-5-6-7-8-17-9-12(15-16-17)13(14,10-18)11-19/h9,18-19H,2-8,10-11,14H2,1H3
Standard InChI Key: UIIHYZWCYUJUSP-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 270.38Molecular Weight (Monoisotopic): 270.2056AlogP: 0.78#Rotatable Bonds: 10Polar Surface Area: 97.19Molecular Species: NEUTRALHBA: 6HBD: 3#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 7.46CX LogP: 1.24CX LogD: 0.90Aromatic Rings: 1Heavy Atoms: 19QED Weighted: 0.55Np Likeness Score: -0.79
References 1. Skácel J, Slusher BS, Tsukamoto T.. (2021) Small Molecule Inhibitors Targeting Biosynthesis of Ceramide, the Central Hub of the Sphingolipid Network., 64 (1.0): [PMID:33395289 ] [10.1021/acs.jmedchem.0c01664 ]