UCSF

ZINC00025912

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: tert-butyl-(6-chloro-1,1-diketo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)amine tert-butyl-(6-chloro-1,1-diketo-…

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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) 2.50 4.02 -15.94 2 5 0 71 293.801 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABCC8-1-E Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.55 Binding ≤ 10μM
IRK11-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 2), Eukaryotic Eukaryotes 230 0.55 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 60 0.59 Functional ≤ 10μM
Z80700-1-O Beta-TC6 (Pancreatic Insulinoma Cells) (cluster #1 Of 1), Other Other 170 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IRK11_HUMAN Q14654 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human 230 0.55 Binding ≤ 1μM
ABCC8_HUMAN Q09428 Sulfonylurea Receptor 1, Human 230 0.55 Binding ≤ 1μM
IRK11_HUMAN Q14654 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human 230 0.55 Binding ≤ 10μM
ABCC8_HUMAN Q09428 Sulfonylurea Receptor 1, Human 230 0.55 Binding ≤ 10μM
Z80700 Z80700 Beta-TC6 (Pancreatic Insulinoma Cells) 170 0.56 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 60 0.59 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ABC-family proteins mediated transport
ATP sensitive Potassium channels
Regulation of insulin secretion

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