UCSF

ZINC12405786

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 27 Yes

Popular Name: (2S,3S,4R,5R)-5-[6-(2-furylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxam (2S,3S,4R,5R)-5-[6-(2-furylmethy…

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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) -0.09 -8.72 -18.19 4 11 0 148 374.357 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-2-E Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 8610 0.26 Binding ≤ 10μM
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6220 0.27 Binding ≤ 10μM
AA3R-1-E Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic Eukaryotes 720 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA3R_RAT P28647 Adenosine A3 Receptor, Rat 720 0.32 Binding ≤ 1μM
AA1R_RAT P25099 Adenosine A1 Receptor, Rat 8610 0.26 Binding ≤ 10μM
AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 6220 0.27 Binding ≤ 10μM
AA3R_RAT P28647 Adenosine A3 Receptor, Rat 720 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
G alpha (i) signalling events
G alpha (s) signalling events
NGF-independant TRKA activation

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