REPAGLINIDE
ID: CHEMBL1272
Name: REPAGLINIDE
Max Phase:
Approved
Learn more
First Approval: 1997
Molecular Formula: C27H36N2O4
Molecular Weight: 452.60
Molecule Type: Small molecule
Synonyms and Trade Names:
A10BX02
AG-EE 623 ZW
AG-EE-623-ZW
AG-EE-623ZW
AGEE-623ZW
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Scientific Literature
PubChem BioAssays
FDA Orange Book Drugs
SARS-CoV-2 Screening Data
United States Adopted Names (USAN)
Clinical Candidate Compounds
WHO Anatomical Therapeutic Chemical (ATC) Classification of Drugs
British National Formulary (BNF)
AstraZeneca DMPK/physicochemical
CO-ADD Antimicrobial Screening
Fraunhofer Institute HDAC6 screening
IMI-CARE SARS-CoV-2 Data
European Medicines Agency (EMA)
EUbOPEN Chemogenomic Library
Karolinska Institute dNTPase SAMHD1 screening
Alternative forms of compound CHEMBL1272
5
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| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Diabetes Mellitus
|
diabetes mellitus
| 4 | |||
| 2. |
Diabetes Mellitus, Type 2
|
type 2 diabetes mellitus
| 4 | |||
| 3. |
Atherosclerosis
|
atherosclerosis
| 3 | |||
| 4. |
Hypercholesterolemia
|
Hypercholesterolemia
| 3 | |||
| 5. |
Hypertension
|
hypertension
| 3 |
Showing 1-5
out of 14 records
5
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out of 1 records
| # | Mechanism of Action | Action Type | Target ChEMBL ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|---|---|---|---|---|---|---|---|
| 1. |
Sulfonylurea receptor 1, Kir6.2 blocker
|
BLOCKER
|
Sulfonylurea receptor 1, Kir6.2
|
PROTEIN COMPLEX
|
Homo sapiens
|
---
|
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out of 1 records
Compounds similar to CHEMBL1272
Compounds with at least 85% similarity.
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Bioactivity Summary
Total
438
AC50
Activity
Inhibition
CL
Km
Vmax
Ratio
Potency
AUC
Cmax
FC
Growth Rate
Delta TM
CL free
Fm
IC50
Delta BG
T1/2
CL/F
Fu
Other
Assay Summary
Total
425
A - ADME
F - Functional
B - Binding
T - Toxicity
P - Physicochemical
Target Summary
Total
126
Membrane receptor
N/A
Enzyme
Transcription factor
Transporter
Epigenetic regulator
Ion channel
Other membrane protein
Other nuclear protein
Structural protein
Unclassified protein
Histogram Settings
|
Total
38
Journal:
N/A
J Med Chem
Drug Metab Dispos
Bioorg Med Chem Lett
Bioorg Med Chem
Eur J Med Chem
Gastroenterol Clin Biol
Nat Rev Drug Discov
PLoS Comput Biol
ACS Med Chem Lett
Toxicol Sci
Drug Discov Today
Nat Commun
iScience
The table below displays ChEMBL targets which are predicted to interact with REPAGLINIDE (CHEMBL1272). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not REPAGLINIDE (CHEMBL1272) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | empty | empty | both | 6 |
| CHEMBL2725 | Beta-lactamase | active | active | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | both | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
Molecular Weight:
452.60
Molecular Weight (Monoisotopic):
452.2675
AlogP:
5.22
#Rotatable Bonds:
10
Polar Surface Area:
78.87
Molecular Species:
ACID
HBA:
4
HBD:
2
#RO5 Violations:
1
HBA (Lipinski):
6
HBD (Lipinski):
2
#RO5 Violations (Lipinski):
1
CX Acidic pKa:
3.68
CX Basic pKa:
4.82
CX LogP:
3.95
CX LogD:
1.95
Aromatic Rings:
2
Heavy Atoms:
33
QED Weighted:
0.52
Np Likeness Score:
-0.79
UniChem Connectivity Layer Cross References for
CHEMBL1272
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL356866 | ||||
| CHEMBL1272 | ||||
| CHEMBL151767 | ||||
| DB00912 | ||||
| BJX |
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