UCSF

ZINC49872132

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 33 No

Popular Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosp [[(2R,3S,4R,5R)-5-(2,4-dioxopyri…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.02 -4.73 -495.32 3 20 -5 325 559.079 10 ↓
Mid Mid (pH 6-8) -5.02 -5.89 -346.38 4 20 -4 322 560.087 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2RY2-1-E Purinergic Receptor P2Y2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3900 0.23 Functional ≤ 10μM
P2RY4-1-E Pyrimidinergic Receptor P2Y4 (cluster #1 Of 1), Eukaryotic Eukaryotes 7300 0.22 Functional ≤ 10μM
P2RY6-1-E Pyrimidinergic Receptor P2Y6 (cluster #1 Of 1), Eukaryotic Eukaryotes 7600 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RY2_HUMAN P41231 Purinergic Receptor P2Y2, Human 2610 0.24 Functional ≤ 10μM
P2RY4_HUMAN P51582 Pyrimidinergic Receptor P2Y4, Human 4640 0.23 Functional ≤ 10μM
P2RY6_HUMAN Q15077 Pyrimidinergic Receptor P2Y6, Human 7560 0.22 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
P2Y receptors

Analogs ( Draw Identity 99% 90% 80% 70% )