UCSF

ZINC06488320

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2006 18 Yes

Popular Name: 7-methyl-2-phenyl-8H-[1,8]naphthyridin-4-one 7-methyl-2-phenyl-8H-[1,8]naphth…

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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) 2.54 6.51 -18.5 1 3 0 46 236.274 1 ↓
Hi High (pH 8-9.5) 3.00 6.19 -48.83 0 3 -1 49 235.266 1 ↓

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 430 0.50 Binding ≤ 10μM
AA2AR-3-E Adenosine A2a Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 550 0.49 Binding ≤ 10μM
AA3R-4-E Adenosine Receptor A3 (cluster #4 Of 6), Eukaryotic Eukaryotes 8800 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 430 0.50 Binding ≤ 1μM
AA1R_BOVIN P28190 Adenosine A1 Receptor, Bovin 5.3 0.64 Binding ≤ 1μM
AA2AR_HUMAN P29274 Adenosine A2a Receptor, Human 460 0.49 Binding ≤ 1μM
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 430 0.50 Binding ≤ 10μM
AA1R_BOVIN P28190 Adenosine A1 Receptor, Bovin 5.3 0.64 Binding ≤ 10μM
AA2AR_HUMAN P29274 Adenosine A2a Receptor, Human 460 0.49 Binding ≤ 10μM
AA3R_RAT P28647 Adenosine A3 Receptor, Rat 8800 0.39 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% )