NAV

PF-00610355

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

Identification

Generic Name
PF-00610355
DrugBank Accession Number
DB11871
Background

PF-00610355 has been used in trials studying the treatment of Lung Disease, Moxifloxacin, Pulmonary Disease, Asthma, Bronchial, and Bronchial Diseases, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 617.76
Monoisotopic: 617.255957162
Chemical Formula
C34H39N3O6S
Synonyms
Not Available
External IDs
  • PF - 00610355
  • PF-610355
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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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interactions in your software
AcebutololThe therapeutic efficacy of PF-00610355 can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with PF-00610355.
AcemetacinThe risk or severity of hypertension can be increased when PF-00610355 is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with PF-00610355.
AclidiniumThe risk or severity of Tachycardia can be increased when Aclidinium is combined with PF-00610355.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Biphenyls and derivatives
Direct Parent
Biphenyls and derivatives
Alternative Parents
Amphetamines and derivatives / Phenylacetamides / Sulfanilides / Phenylpropanes / 1-hydroxy-2-unsubstituted benzenoids / Aralkylamines / Organosulfonamides / Organic sulfonamides / Aminosulfonyl compounds / 1,2-aminoalcohols
show 8 more
Substituents
1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / Alcohol / Amine / Amino acid or derivatives / Aminosulfonyl compound / Amphetamine or derivatives / Aralkylamine / Aromatic alcohol / Aromatic homomonocyclic compound
show 24 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
ZH5SMU97AJ
CAS number
862541-45-5
InChI Key
YPHDIMUXXABSSO-YTTGMZPUSA-N
InChI
InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-12-15-31(39)30(19-28)37-44(3,42)43)20-24-7-4-6-23(16-24)18-33(41)35-21-25-8-5-9-27(17-25)26-10-13-29(38)14-11-26/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1
IUPAC Name
2-[3-(2-{[(2R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonamidophenyl)ethyl]amino}-2-methylpropyl)phenyl]-N-({4'-hydroxy-[1,1'-biphenyl]-3-yl}methyl)acetamide
SMILES
CC(C)(CC1=CC=CC(CC(=O)NCC2=CC=CC(=C2)C2=CC=C(O)C=C2)=C1)NC[C@H](O)C1=CC=C(O)C(NS(C)(=O)=O)=C1

References

General References
Not Available
PubChem Compound
11505444
PubChem Substance
347828208
ChemSpider
9680243
BindingDB
50326537
ChEMBL
CHEMBL1240967
ZINC
ZINC000064490563

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)1
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD) / Lung Disorder / Obstructive Lung Diseases1
2WithdrawnTreatmentBronchial Asthma / Bronchial Diseases / Obstructive Lung Diseases / Respiratory Tract Diseases1
1CompletedTreatmentLung Disorder / Moxifloxacin1

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 Solubility0.00121 mg/mLALOGPS
logP4.38ALOGPS
logP3.11Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)7.85Chemaxon
pKa (Strongest Basic)9.58Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area147.99 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity172.11 m3·mol-1Chemaxon
Polarizability67.4 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0219020000-4e9d8e1a2490f585e775
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0g4i-0157924000-a357eb09635c71ab1df3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fxw-5945742000-a9410d213132d8dbc0b4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0797131000-b97cc3cbd758ebeb8461
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-4946265000-994b9a7deed01db5f68e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-0922021000-0fcc658b14909251dd06
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-234.20891
predicted
DeepCCS 1.0 (2019)
[M+H]+236.0338
predicted
DeepCCS 1.0 (2019)
[M+Na]+241.63962
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:56 / Updated at June 12, 2020 16:53