UCSF

ZINC53313040

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 34 No

Popular Name: 6-[4-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-3-propyl-1,5-dihydropyrrolo[3,2-d]pyri 6-[4-[[3-(4-bromophenyl)-1,2,4-o…

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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) 6.24 6.55 -49.94 1 9 -1 122 521.351 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA2BR-1-E Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA2BR_HUMAN P29275 Adenosine A2b Receptor, Human 31.6227766 0.31 Binding ≤ 1μM
AA2BR_HUMAN P29275 Adenosine A2b Receptor, Human 31.6227766 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

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