NAV

Surinabant

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Surinabant
DrugBank Accession Number
DB13070
Background

Surinabant has been investigated for the treatment of Smoking Cessation.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 522.27
Monoisotopic: 520.04323
Chemical Formula
C23H23BrCl2N4O
Synonyms
  • Surinabant
External IDs
  • SR 147778
  • SR-147778
  • SR147778
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when Surinabant is combined with 1,2-Benzodiazepine.
AcebutololThe risk or severity of Tachycardia can be increased when Surinabant is combined with Acebutolol.
AcetazolamideThe risk or severity of adverse effects can be increased when Surinabant is combined with Acetazolamide.
AcetophenazineThe risk or severity of adverse effects can be increased when Surinabant is combined with Acetophenazine.
AclidiniumThe risk or severity of Tachycardia and drowsiness can be increased when Aclidinium is combined with Surinabant.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Pyrazoles
Direct Parent
Phenylpyrazoles
Alternative Parents
Pyrazole-5-carboxamides / Dichlorobenzenes / Bromobenzenes / Piperidines / Aryl bromides / Aryl chlorides / Heteroaromatic compounds / Carboxylic acid hydrazides / Azacyclic compounds / Hydrocarbon derivatives
show 6 more
Substituents
1,3-dichlorobenzene / Aromatic heteromonocyclic compound / Aryl bromide / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Bromobenzene / Carboxylic acid derivative / Carboxylic acid hydrazide
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
SF8R9VCB0X
CAS number
288104-79-0
InChI Key
HMXDWDSNPRNUKI-UHFFFAOYSA-N
InChI
InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
IUPAC Name
5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
SMILES
CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1

References

General References
Not Available
PubChem Compound
9849616
PubChem Substance
347829198
ChemSpider
8025329
BindingDB
50171290
ChEBI
125484
ChEMBL
CHEMBL189676
ZINC
ZINC000001549068
Wikipedia
Surinabant

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentObesity1
2CompletedTreatmentSmoking, Cessation1

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
PropertyValueSource
Water Solubility0.00143 mg/mLALOGPS
logP6.07ALOGPS
logP6.52Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)10.77Chemaxon
pKa (Strongest Basic)1.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area50.16 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity130.25 m3·mol-1Chemaxon
Polarizability50.55 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0000090000-f09ea1318bfabcedaa12
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1000090000-0d04de03259d6d76047b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-7009530000-850cea4bed2c18af0308
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1000690000-f6fa6fd4df7c60e9fa99
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-5011910000-5e65046f145b255f8cef
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9100100000-aa8094bbd1e8d4b2ae59
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-209.3284857
predicted
DarkChem Lite v0.1.0
[M-H]-204.8769
predicted
DeepCCS 1.0 (2019)
[M+H]+208.6494857
predicted
DarkChem Lite v0.1.0
[M+H]+207.23491
predicted
DeepCCS 1.0 (2019)
[M+Na]+209.0955857
predicted
DarkChem Lite v0.1.0
[M+Na]+213.38165
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:41 / Updated at February 21, 2021 18:54