Drug Interactions: This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions: Not Available

Chemical Identifiers

UNII: 5XGC17ZKUF
CAS number: 496054-87-6
InChI Key: GKGRZLGAQZPEHO-UHFFFAOYSA-N
InChI: InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)
IUPAC Name: 2-{4-[(4-fluorophenyl)methyl]piperidin-1-yl}-2-oxo-N-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)acetamide
SMILES: FC1=CC=C(CC2CCN(CC2)C(=O)C(=O)NC2=CC=C3NC(=O)OC3=C2)C=C1

References

General References

Not Available

External Links

PubChem Compound: 10200813
PubChem Substance: 347828533
ChemSpider: 8376312
BindingDB: 50149684
ChEMBL: CHEMBL182066
ZINC: ZINC000028363953

Clinical Trials

Clinical Trials Clinical Trial & Rare Diseases Add-on Data Package Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package

Phase	Status	Purpose	Conditions	Count	Start Date	Why Stopped	100+ additional columns
Unlock 175K+ rows when you subscribe.View sample data
2	Completed	Treatment	Diabetic Peripheral Neuropathic Pain (DPN)	1	somestatus	stop reason	just information to hide
2	Terminated	Treatment	Infantile Spasms (IS)	1	somestatus	stop reason	just information to hide
1	Completed	Basic Science	Healthy Volunteers (HV)	1	somestatus	stop reason	just information to hide
1	Recruiting	Treatment	GRIN Related Disorders	1	somestatus	stop reason	just information to hide
1, 2	Recruiting	Treatment	Focal Cortical Dysplasia / Tuberous Sclerosis Complex (TSC)	1	somestatus	stop reason	just information to hide

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.00973 mg/mL	ALOGPS
logP	2.9	ALOGPS
logP	3.03	Chemaxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	9.51	Chemaxon
pKa (Strongest Basic)	-2	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	4	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	87.74 Å²	Chemaxon
Rotatable Bond Count	4	Chemaxon
Refractivity	106.14 m³·mol^-1	Chemaxon
Polarizability	39.05 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0096000000-6757a1aa675bdb86532f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0219000000-e2bfe96def80a62512d8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0uk9-1195000000-b100c8ce801d7f2878d5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fba-1944000000-b57b8ad4655d82b660de
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fxt-1695000000-c68276a43164ec982868
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05fs-0910000000-d280512146e0e0306145
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	192.1756	predicted	DeepCCS 1.0 (2019)
[M+H]+	194.5336	predicted	DeepCCS 1.0 (2019)
[M+Na]+	200.99834	predicted	DeepCCS 1.0 (2019)

Targets

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Details1. Glutamate receptor ionotropic, NMDA 2B

Kind: Protein
Organism: Humans
Pharmacological action: Yes
Actions: Antagonist

General Function: Component of NMDA receptor complexes that function as heterotetrameric, ligand-gated ion channels with high calcium permeability and voltage-dependent sensitivity to magnesium. Channel activation requires binding of the neurotransmitter glutamate to the epsilon subunit, glycine binding to the zeta subunit, plus membrane depolarization to eliminate channel inhibition by Mg(2+) (PubMed:26875626, PubMed:26919761, PubMed:28126851, PubMed:8768735). Sensitivity to glutamate and channel kinetics depend on the subunit composition (PubMed:26875626, PubMed:8768735). In concert with DAPK1 at extrasynaptic sites, acts as a central mediator for stroke damage. Its phosphorylation at Ser-1303 by DAPK1 enhances synaptic NMDA receptor channel activity inducing injurious Ca2+ influx through them, resulting in an irreversible neuronal death. Contributes to neural pattern formation in the developing brain. Plays a role in long-term depression (LTD) of hippocampus membrane currents and in synaptic plasticity (By similarity)
Specific Function: Amyloid-beta binding
Gene Name: GRIN2B
Uniprot ID: Q13224
Uniprot Name: Glutamate receptor ionotropic, NMDA 2B
Molecular Weight: 166365.885 Da

References

Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at October 20, 2016 21:44 / Updated at August 27, 2024 19:15

Radiprodil

Identification

Structure for Radiprodil (DB12260)

Pharmacology

Interactions

Categories

Chemical Identifiers

References

Clinical Trials

Clinical Trial & Rare Diseases Add-on Data Package

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)

Targets

References