UCSF

ZINC53204366

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 19 Yes

Popular Name: 2'-Amino-2'-deoxyadenosine 2'-Amino-2'-deoxyadenosine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10414-81-0 , [10414-81-0]

Other Names:

MFCD06657636

QB-3360

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) -2.30 -5 -12.43 6 9 0 145 266.261 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA3R-2-E Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic Eukaryotes 301 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 301 0.48 Binding ≤ 1μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 301 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
G alpha (i) signalling events

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

No pre-computed analogs available. Try a structural similarity search.