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apecotrep   Click here for help

GtoPdb Ligand ID: 14343

Synonyms: BI 764198 | BI-764198 | compound 17 [US10800757B2]
Compound class: Synthetic organic
Comment: Apecotrep (BI 764198) is an orally bioavailable transient receptor potential channel C6 (TRPC6) inhibitor [1,6]. Hyperactivity of TRPC6 is linked to podocyte dysfunction in the nephrotic channelopathy, focal and segmental glomerulosclerosis (FSGS) [2-4], hence TRPC6 inhibition is proposed as a novel FSGS therapeutic modality [5].
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 101.87
Molecular weight 423.44
XLogP 1.17
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES COC1=CC(=NC=C1OC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)C4=CC=C(N)N=N4
Isomeric SMILES COC1=CC(=NC=C1OC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)C4=NN=C(C=C4)N
InChI InChI=1S/C22H22FN5O3/c1-30-19-12-18(25-13-20(19)31-16-4-2-15(23)3-5-16)22(29)28-10-8-14(9-11-28)17-6-7-21(24)27-26-17/h2-7,12-14H,8-11H2,1H3,(H2,24,27)
InChI Key JUALOUHZJJERQT-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
No information available.
Summary of Clinical Use Click here for help
Apecotrep (BI 764198) was proposed as a novel therapy for focal segmental glomerulosclerosis (FSGS) [6].

COVID-19: Apecotrep was investigated for efficacy in reducing severity of acute respiratory distress syndrome (ARDS) in (non-ventilated) patients hospitalised with COVID-19. It did not reduce the risk and/or severity of ARDS in the selected patient population [8]
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04604184 ACTION ON COVID-19: A Study to Test Whether BI 764198 Helps Lung Health of People Hospitalised With COVID-19 Phase 2 Interventional Boehringer Ingelheim 8
NCT07220083 A Study to Find Out if BI 764198 Helps Adults and Adolescents With a Kidney Condition Called Focal Segmental Glomerulosclerosis (FSGS) Phase 3 Interventional Boehringer Ingelheim
NCT07355296 PODOMOUNT-Basket, a Study to Test Whether BI 764198 Helps Adults and Adolescents With Different Types of Kidney Disease Phase 2 Interventional Boehringer Ingelheim
NCT04665700 A Study in Healthy Japanese Men to Test How Well Different Doses of BI 764198 Are Tolerated Phase 1 Interventional Boehringer Ingelheim 9
NCT05213624 A Study to Test BI 764198 in People With a Type of Kidney Disease Called Focal Segmental Glomerulosclerosis Phase 2 Interventional Boehringer Ingelheim 7