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Compound Detail

CHEMBL3304485

TENAPANOR
💊 Approved Drug
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💊 Approved Drug
CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304485
Name TENAPANOR
Phase Approved
Structure Type MOL
InChI Key DNHPDWGIXIMXSA-CXNSMIOJSA-N
Therapeutic ✓ Yes

Known Names

AZD-1722 KHK-7791 Khk7791 Tenapanor Tenapanor component of rdx-013 Tenapanor component of rdx013
3
Targets
12
Activities
1
Assay Types
1
PK Parameters
17
Publications
6
Known Names
3
Indications

Molecular Properties

1145.1
MW (Da)

Drug Information

Molecule Type Small molecule
First Approval 2019
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Black Box Warning Natural Product First in Class Chemical Probe
USAN Stem -napanor
USAN Year 2014

Extended Properties

Molecular Formula C50H66Cl4N8O10S2
MW 1145.07

Indications

Constipation Hyperphosphatemia Irritable Bowel Syndrome

ATC Classification

A06AX08
tenapanor
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR CONSTIPATION

Activity Summary

IC50 12 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/hydrogen exchanger 3
CHEMBL3273
 IC50 9.3 8.4 0.5 6
Unchecked
CHEMBL612545
 IC50 8.4 8.1433 4.0 3
Sodium/hydrogen exchanger 3
CHEMBL3879842
 IC50 8.03 7.9533 9.3 3

Pharmacokinetic Data

Parameter Value Units Species
Cmax 2.62 nM Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/hydrogen exchanger 3 IC50 = 0.5012 nM 9.3 Inhibition of human NHE3 expressed in opossum kidney cells assessed as reduction... 35859876
Unchecked IC50 = 3.98 nM 8.4 Cell-Based Assay of NHE3 Activity under Persistent Conditions: The ability of co... -
Sodium/hydrogen exchanger 3 IC50 = 5.012 nM 8.3 Inhibition of human NHE3-mediated sodium-dependant hydrogen ion antiport in Opos... -
Sodium/hydrogen exchanger 3 IC50 = 5.012 nM 8.3 Inhibition of human NHE3 expressed in OK cells assessed as reduction in Na+ depe... -
Sodium/hydrogen exchanger 3 IC50 = 5.01 nM 8.3 Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... -
Sodium/hydrogen exchanger 3 IC50 = 6.31 nM 8.2 Cell-Based Assay of NHE3 Activity under Persistent Conditions: The ability of co... -
Sodium/hydrogen exchanger 3 IC50 = 9.333 nM 8.03 Inhibition of rat NHE3-mediated sodium-dependant hydrogen ion antiport in Opossu... -
Sodium/hydrogen exchanger 3 IC50 = 9.333 nM 8.03 Inhibition of rat NHE3 expressed in OK cells assessed as reduction in Na+ depend... -
Unchecked IC50 = 9.33 nM 8.03 Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... -
Unchecked IC50 = 10.0 nM 8.0 Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... -
Sodium/hydrogen exchanger 3 IC50 = 10.0 nM 8.0 Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... -
Sodium/hydrogen exchanger 3 IC50 = 15.85 nM 7.8 Inhibition of rat NHE3 expressed in opossum kidney cells assessed as reduction i... 35859876

Literature References

PubMed DOI Target Context # Activities
35859876 10.1021/acsmedchemlett.2c00037 ADMET 9
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
35859876 10.1021/acsmedchemlett.2c00037 Sodium/hydrogen exchanger 3 2
35859876 10.1021/acsmedchemlett.2c00037 Unchecked 2
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL5724796 Transcription intermediary factor 1-alpha 1
- 10.6019/CHEMBL5724796 Peregrin 1
- 10.6019/CHEMBL5724796 Fibroblast growth factor receptor 2 1
- 10.6019/CHEMBL5724796 Tyrosine-protein kinase ABL1 1
- 10.6019/CHEMBL5724796 Aurora kinase A 1
- 10.6019/CHEMBL5724796 Mitogen-activated protein kinase 1 1
- 10.6019/CHEMBL5724796 Glycogen synthase kinase-3 beta 1
- 10.6019/CHEMBL5724796 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL5724796 Casein kinase I isoform delta 1
37974969 10.1039/d3md00302g Unchecked 1
35859876 10.1021/acsmedchemlett.2c00037 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine