UCSF

ZINC64540610

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 29 No

Popular Name: (4S,7S)-2-amino-7-benzyl-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (4S,7S)-2-amino-7-benzyl-4-(4-me…

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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) 4.15 9.17 -17.54 2 5 0 85 386.451 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EAA1-1-E Excitatory Amino Acid Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5100 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EAA1_HUMAN P43003 Excitatory Amino Acid Transporter 1, Human 4786.30092 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Astrocytic Glutamate-Glutamine Uptake And Metabolism
Transport of inorganic cations/anions and amino acids/oligopeptides

Rings

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

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