UCSF

ZINC00009689

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Nateglinide Nateglinide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105816-04-4 , [105816-04-4]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.56 10.52 -53.94 1 4 -1 69 316.421 6 ↓

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
ALOGPS_SOLUBILITY 8.48e-03 g/l DrugBank-approved
biological_use Antidiabetic agent IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP03325n NIH Clinical Collection via PubChem
biological_use Oral hypoglycaemic agent IBScreen Bioactives IBScreen Bioactives
Target Potassium Channel Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP03325n NIH Clinical Collection via PubChem
mechanism Stimulats the release of insulin from the pancreas by closing ATP-dependent potassium channels in the membrane of the betta-cells IBScreen Bioactives
Indications type 2 diabetes KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S22A6-1-E Solute Carrier Family 22 Member 6 (cluster #1 Of 3), Eukaryotic Eukaryotes 9200 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S22A6_RAT O35956 Solute Carrier Family 22 Member 6, Rat 9200 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Organic anion transport

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