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opakalim   Click here for help

GtoPdb Ligand ID: 14475

Synonyms: BHV-7000 | BHV7000 | example 475 [US20230000831] [1]
Compound class: Synthetic organic
Comment: Opakalim (BHV-7000) is a selective Kv7.2 and Kv.7.3 channel activator/opener [2] .
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 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 68.49
Molecular weight 348.39
XLogP 3.92
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 CC(C)(C)CC(=O)NC1=NC2=C(C(=C(C=C2F)C#N)F)N1C(C)(C)C
Isomeric SMILES CC(C)(C)CC(=O)NC1=NC2=C(C=C(C(=C2N1C(C)(C)C)F)C#N)F
InChI InChI=1S/C18H22F2N4O/c1-17(2,3)8-12(25)22-16-23-14-11(19)7-10(9-21)13(20)15(14)24(16)18(4,5)6/h7H,8H2,1-6H3,(H,22,23,25)
InChI Key VOPRSHDHZUHPBT-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
Opakalim (BHV-7000) was progressed as a clinical candidate for the treatment of epilepsy or depressive disorders.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT06443463 Long-term Safety and Tolerability of BHV-7000 Phase 2 Interventional Biohaven Pharmaceuticals, Inc.
NCT06132893 A Study to Determine if BHV-7000 is Effective and Safe in Adults With Refractory Focal Onset Epilepsy Phase 2/Phase 3 Interventional Biohaven Pharmaceuticals, Inc.
NCT06309966 Study to Determine if BHV-7000 is Effective and Safe in Adults With Refractory Focal Onset Epilepsy Phase 2/Phase 3 Interventional Biohaven Pharmaceuticals, Inc.
NCT06419582 BHV-7000 Acute Treatment of Bipolar Mania Phase 2/Phase 3 Interventional Biohaven Pharmaceuticals, Inc.
NCT06419608 Efficacy and Safety Study of BHV-7000 Monotherapy in Major Depression Phase 2 Interventional Biohaven Pharmaceuticals, Inc.