UCSF

ZINC27563739

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 36 No

Popular Name: 5-(3-bromophenyl)-7-(6-morpholino-3-pyridyl)-6-phenyl-pyrido[3,2-e]pyrimidin-4-amine 5-(3-bromophenyl)-7-(6-morpholin…

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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) 5.59 11.97 -12.86 2 7 0 90 539.437 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6030969 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADK-1-E Adenosine Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADK_RAT Q64640 Adenosine Kinase, Rat 4 0.33 Binding ≤ 1μM
ADK_HUMAN P55263 Adenosine Kinase, Human 155 0.26 Binding ≤ 1μM
ADK_RAT Q64640 Adenosine Kinase, Rat 4 0.33 Binding ≤ 10μM
ADK_HUMAN P55263 Adenosine Kinase, Human 155 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage

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

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