UCSF

ZINC00443776

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 No

Popular Name: 2-amino-7-(2-furyl)-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-7-(2-furyl)-5-oxo-4-phen…

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Other Names:

MFCD01945586

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) 2.77 1.57 -13.8 2 5 0 89 332.359 2 ↓

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 7413 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EAA1_HUMAN P43003 Excitatory Amino Acid Transporter 1, Human 7300 0.29 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

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

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