| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 33 | Yes |
Popular Name: Repaglinide Repaglinide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 135062-02-1 , [135062-02-1]
(+)-2-Ethoxy-alpha-(((S)-alpha-isobutyl-o-piperidinobenzyl)carbamoyl)-p-toluic acid
(S)-(+)-2-Ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoic acid
(S)-2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)-phenyl)butyl)amino)-2-oxoethyl)-benzoic acid
(S)-2-Ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid
(S)-2-Ethoxy-4-(2-((methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-benzoic acid
(S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)phenyl)butylamino)-2-oxoethyl)benzoic acid
135062-02-1; C07670; Repaglinide
135062-02-1; D00594; Prandin (TN); Repaglinide (JAN/USP/INN); Surepost (TN)
2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid
2-ethoxy-4-(2-{[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino}-2-oxoethyl)benzoic acid
2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid
2-Ethoxy-4-[2-[[(1S)-3-Methyl-1-[2-(1-Piperidinyl)Phenyl]Butyl]Amino]-2-Oxoethyl]BenzoicAcid
2-Ethoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid
2-ethoxy-N-(alpha-(2-methyl-1-propyl)-2-piperidinobenzyl)-4-carbamoylmethylbenzoic acid
AG-EE 388 ZW;AG-EE 623 ZW;Repaglinida [INN-Spanish];Repaglinidum [INN-Latin]
Benzoic acid, 2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-, (S)-
Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-
CPD000466305; REPAGLINIDE; SAM001246546
Glaxo Wellcome brand of replaginide
Novo Nordisk brand 2 of repaglinide
Novo Nordisk brand of repaglinide
Prandin, GlucoNorm, NovoNorm, Repaglinide
Repaglinida [INN-Spanish];Repaglinidum [INN-Latin];AG-EE 388 ZW;AG-EE 623 ZW
| 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) | 4.87 | 16.06 | -65.82 | 1 | 6 | -1 | 82 | 451.587 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 2.94e-03 g/l | DrugBank-approved |
| Indications | antidiabetic | KeyOrganics Bioactives |
| biological_use | Antihyperglycaemic agent used in the treatment of type II diabetes | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01040r | NIH Clinical Collection via PubChem |
| Target | Potassium Channel | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01040r | NIH Clinical Collection via PubChem |
| mechanism | Stimulating the release of insulin from the pancreas by closing ATP-dependent potassium channels in the membrane of the beta cells | IBScreen Bioactives |
| Indications | type II diabetes | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABCC8-1-E | Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.31 | Binding ≤ 10μM |
| S22A1-1-E | Solute Carrier Family 22 Member 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9200 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABCC8_HUMAN | Q09428 | Sulfonylurea Receptor 1, Human | 106 | 0.30 | Binding ≤ 1μM |
| S22A1_HUMAN | O15245 | Solute Carrier Family 22 Member 1, Human | 9200 | 0.21 | Binding ≤ 10μM |
| ABCC8_HUMAN | Q09428 | Sulfonylurea Receptor 1, Human | 106 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir transmembrane transport | |
| ABC-family proteins mediated transport | |
| ATP sensitive Potassium channels | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Norepinephrine Neurotransmitter Release Cycle | |
| Organic cation transport | |
| Regulation of insulin secretion |
No pre-computed analogs available. Try a structural similarity search.