UCSF

ZINC19800352

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 Yes

Popular Name: dipine dipine

Find On: PubMed — Wikipedia — Google

CAS Number: 71653-63-9

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) 3.73 8.43 -15.82 1 6 0 74 367.348 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABCC9-1-E Sulfonylurea Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.45 Functional ≤ 10μM
IRK11-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.45 Functional ≤ 10μM
IRK8-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.45 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 6 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IRK11_RAT P70673 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Rat 3.63078055 0.45 Functional ≤ 10μM
IRK8_RAT Q63664 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Rat 3.63078055 0.45 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1.77827941 0.47 Functional ≤ 10μM
ABCC9_RAT Q63563 Sulfonylurea Receptor 2, Rat 3.63078055 0.45 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ATP sensitive Potassium channels
Regulation of insulin secretion

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

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