UCSF

ZINC13682390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 Yes

Popular Name: 1-(4,7-dibenzyloxy-6-hydroxy-benzofuran-5-yl)ethanone 1-(4,7-dibenzyloxy-6-hydroxy-ben…

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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) 5.01 10.11 -12.46 1 5 0 69 388.419 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA1-1-E Voltage-gated Potassium Channel Subunit Kv1.1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.25 Functional ≤ 10μM
KCNA2-1-E Voltage-gated Potassium Channel Subunit Kv1.2 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.24 Functional ≤ 10μM
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.29 Functional ≤ 10μM
KCNA5-1-E Voltage-gated Potassium Channel Subunit Kv1.5 (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA1_HUMAN Q09470 Voltage-gated Potassium Channel Subunit Kv1.1, Human 7000 0.25 Functional ≤ 10μM
KCNA2_HUMAN P16389 Voltage-gated Potassium Channel Subunit Kv1.2, Human 10000 0.24 Functional ≤ 10μM
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 1200 0.29 Functional ≤ 10μM
KCNA5_HUMAN P22460 Voltage-gated Potassium Channel Subunit Kv1.5, Human 5000 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

Rings

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

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