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: F197218T99
CAS number: 956274-94-5
InChI Key: ORDHXXHTBUZRCN-NTEUORMPSA-N
InChI: InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+
IUPAC Name: 2-(2-{2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-1,3-benzodiazol-6-yl}phenyl)propan-2-ol
SMILES: CC(C)(O)C1=CC=CC=C1C1=CC=C2N=C(NC2=C1)\C=C\C1=CC=C(C=C1)C(F)(F)F

References

General References

Not Available

External Links

PubChem Compound: 17751090
PubChem Substance: 347829031
ChemSpider: 29271895
BindingDB: 50086717
ChEMBL: CHEMBL2364618
ZINC: ZINC000043175494
Wikipedia: Mavatrep

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
1	Completed	Not Available	Healthy Volunteers (HV)	1	somestatus	stop reason	just information to hide
1	Completed	Treatment	Healthy Volunteers (HV)	1	somestatus	stop reason	just information to hide
1	Completed	Treatment	Osteoarthritis of the Knee	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	0.000351 mg/mL	ALOGPS
logP	5.98	ALOGPS
logP	6.28	Chemaxon
logS	-6.1	ALOGPS
pKa (Strongest Acidic)	11.49	Chemaxon
pKa (Strongest Basic)	5.3	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	48.91 Å²	Chemaxon
Rotatable Bond Count	5	Chemaxon
Refractivity	116.81 m³·mol^-1	Chemaxon
Polarizability	44.48 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	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	splash10-0a4i-0000900000-2d2937a2c553cab5131d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0uk9-0003900000-0a0bf4d143cf8461fafd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-2009100000-3592ed9f1bf817f21c92
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0002900000-1492fcc2c92f1c0c98c4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0np0-0029100000-f2db17b31521a1a71b28
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0019100000-aaf26996bc665fac3c56
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]-	190.62724	predicted	DeepCCS 1.0 (2019)
[M+H]+	193.0228	predicted	DeepCCS 1.0 (2019)
[M+Na]+	198.93532	predicted	DeepCCS 1.0 (2019)

Targets

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Details1. Transient receptor potential cation channel subfamily V member 1

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

General Function: Ligand-activated non-selective calcium permeant cation channel involved in detection of noxious chemical and thermal stimuli. Seems to mediate proton influx and may be involved in intracellular acidosis in nociceptive neurons. Involved in mediation of inflammatory pain and hyperalgesia. Sensitized by a phosphatidylinositol second messenger system activated by receptor tyrosine kinases, which involves PKC isozymes and PCL. Activation by vanilloids, like capsaicin, and temperatures higher than 42 degrees Celsius, exhibits a time- and Ca(2+)-dependent outward rectification, followed by a long-lasting refractory state. Mild extracellular acidic pH (6.5) potentiates channel activation by noxious heat and vanilloids, whereas acidic conditions (pH <6) directly activate the channel. Can be activated by endogenous compounds, including 12-hydroperoxytetraenoic acid and bradykinin. Acts as ionotropic endocannabinoid receptor with central neuromodulatory effects. Triggers a form of long-term depression (TRPV1-LTD) mediated by the endocannabinoid anandamine in the hippocampus and nucleus accumbens by affecting AMPA receptors endocytosis
Specific Function: ATP binding
Gene Name: TRPV1
Uniprot ID: Q8NER1
Uniprot Name: Transient receptor potential cation channel subfamily V member 1
Molecular Weight: 94955.33 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 21, 2016 00:57 / Updated at August 27, 2024 19:16

Mavatrep

Identification

Structure for Mavatrep (DB12875)

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