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ID: ALA3249835
Max Phase: Preclinical
Molecular Formula: C10H14N2O6
Molecular Weight: 258.23
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: Cc1cn([C@@H]2OC[C@@](O)(CO)[C@H]2O)c(=O)[nH]c1=O
Standard InChI: InChI=1S/C10H14N2O6/c1-5-2-12(9(16)11-7(5)15)8-6(14)10(17,3-13)4-18-8/h2,6,8,13-14,17H,3-4H2,1H3,(H,11,15,16)/t6-,8+,10-/m0/s1
Standard InChI Key: BSYKVFSNRJZPMA-IONOHQLYSA-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
Properties Molecular Weight: 258.23Molecular Weight (Monoisotopic): 258.0852AlogP: -2.54#Rotatable Bonds: 2Polar Surface Area: 124.78Molecular Species: NEUTRALHBA: 7HBD: 4#RO5 Violations: 0HBA (Lipinski): 8HBD (Lipinski): 4#RO5 Violations (Lipinski): 0CX Acidic pKa: 9.95CX Basic pKa: CX LogP: -2.16CX LogD: -2.16Aromatic Rings: 1Heavy Atoms: 18QED Weighted: 0.46Np Likeness Score: 1.20
References 1. Parikh DK, Watson RR.. (1978) Synthesis of branched-chain apiosylpyrimidines and their inhibition of lymphocyte proliferation., 21 (7): [PMID:209191 ] [10.1021/jm00205a025 ]
