UCSF

ZINC25763512

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 31 No

Popular Name: DNC005813 DNC005813

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104809-20-3 , 7292-42-4

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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA3R-1-E Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic Eukaryotes 14 0.35 Binding ≤ 10μM
P2RX1-1-E P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.30 Functional ≤ 10μM
P2RX3-1-E P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 740 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 14 0.35 Binding ≤ 1μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 14 0.35 Binding ≤ 10μM
P2RX1_HUMAN P51575 P2X Purinoceptor 1, Human 200 0.30 Functional ≤ 10μM
P2RX3_HUMAN P56373 P2X Purinoceptor 3, Human 740 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
Elevation of cytosolic Ca2+ levels
G alpha (i) signalling events
Platelet homeostasis

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