UCSF

ZINC26143371

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 31 Yes

Popular Name: 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]-1-cyclopentenyl]acetic 2-[2-[6-oxo-3-(2-phenylpyrazolo[…

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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) 3.35 12.18 -65.51 0 7 -1 92 411.441 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 11 0.36 Binding ≤ 10μM
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 840 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_RAT P25099 Adenosine A1 Receptor, Rat 11 0.36 Binding ≤ 1μM
AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 840 0.27 Binding ≤ 1μM
AA1R_RAT P25099 Adenosine A1 Receptor, Rat 11 0.36 Binding ≤ 10μM
AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 840 0.27 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

Rings

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