UCSF

ZINC00014006

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Popular Name: INN) INN)

Find On: PubMed — Wikipedia — Google

CAS Number: 94470-67-4

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) 1.41 5.1 -12.95 1 5 0 74 286.331 1 ↓

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 500 0.42 Binding ≤ 10μM
ABCC9-1-E Sulfonylurea Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.42 Binding ≤ 10μM
IRK11-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.42 Binding ≤ 10μM
IRK8-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.42 Binding ≤ 10μM
ABCC8-1-E Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 570 0.42 Functional ≤ 10μM
ABCC9-1-E Sulfonylurea Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 570 0.42 Functional ≤ 10μM
IRK11-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 1), Eukaryotic Eukaryotes 570 0.42 Functional ≤ 10μM
IRK8-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 570 0.42 Functional ≤ 10μM
Z102306-1-O Aorta (cluster #1 Of 6), Other Other 98 0.47 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 600 0.41 Functional ≤ 10μM
Z50588-2-O Canis Familiaris (cluster #2 Of 7), Other Other 1960 0.38 Functional ≤ 10μM
Z50590-1-O Sus Scrofa (cluster #1 Of 1), Other Other 700 0.41 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 420 0.43 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 74 0.48 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 500 0.42 Binding ≤ 1μM
IRK8_HUMAN Q15842 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Human 500 0.42 Binding ≤ 1μM
ABCC8_HUMAN Q09428 Sulfonylurea Receptor 1, Human 500 0.42 Binding ≤ 1μM
ABCC9_HUMAN O60706 Sulfonylurea Receptor 2, Human 500 0.42 Binding ≤ 1μM
IRK11_HUMAN Q14654 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human 1100 0.40 Binding ≤ 10μM
IRK8_HUMAN Q15842 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Human 500 0.42 Binding ≤ 10μM
ABCC8_HUMAN Q09428 Sulfonylurea Receptor 1, Human 500 0.42 Binding ≤ 10μM
ABCC9_HUMAN O60706 Sulfonylurea Receptor 2, Human 1100 0.40 Binding ≤ 10μM
Z102306 Z102306 Aorta 130 0.46 Functional ≤ 10μM
Z50588 Z50588 Canis Familiaris 1960 0.38 Functional ≤ 10μM
Z50512 Z50512 Cavia Porcellus 300 0.43 Functional ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 263 0.44 Functional ≤ 10μM
IRK11_HUMAN Q14654 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human 1500 0.39 Functional ≤ 10μM
IRK8_HUMAN Q15842 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Human 1500 0.39 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 100 0.47 Functional ≤ 10μM
ABCC8_HUMAN Q09428 Sulfonylurea Receptor 1, Human 1500 0.39 Functional ≤ 10μM
ABCC9_HUMAN O60706 Sulfonylurea Receptor 2, Human 1500 0.39 Functional ≤ 10μM
Z50590 Z50590 Sus Scrofa 360 0.43 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% )