PF-06815345

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

Identification

Generic Name
PF-06815345
DrugBank Accession Number
DB14862
Background

PF-06815345 is under investigation in clinical trial NCT02654899 (Single Dose Study of PF-06815345 in Healthy Subjects).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 598.04
Monoisotopic: 597.2015063
Chemical Formula
C27H29ClFN9O4
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Not Available

Interactions

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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
4H9X9HO87K
CAS number
1900686-46-5
InChI Key
QTBYVAZRKWOIDU-FUHWJXTLSA-N
InChI
InChI=1S/C27H29ClFN9O4/c1-4-41-27(40)42-16(2)38-25(33-34-35-38)23-20(15-32-36(23)3)19-10-9-17(13-22(19)29)26(39)37(18-7-5-11-30-14-18)24-21(28)8-6-12-31-24/h6,8-10,12-13,15-16,18,30H,4-5,7,11,14H2,1-3H3/t16-,18+/m0/s1
IUPAC Name
(1S)-1-[5-(4-{4-[(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl]-2-fluorophenyl}-1-methyl-1H-pyrazol-5-yl)-1H-1,2,3,4-tetrazol-1-yl]ethyl ethyl carbonate
SMILES
CCOC(=O)O[C@@H](C)N1N=NN=C1C1=C(C=NN1C)C1=CC=C(C=C1F)C(=O)N([C@@H]1CCCNC1)C1=NC=CC=C1Cl

References

General References
Not Available
ChemSpider
75531280

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedBasic ScienceHigh Cholesterol1

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 Solubility0.0219 mg/mLALOGPS
logP2.82ALOGPS
logP3.62Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)9.06Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area142.18 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity185.78 m3·mol-1Chemaxon
Polarizability57.71 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
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, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0000090000-8508ae63013e9f65d164
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000b-1000490000-a6f458441cdba963e780
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0h3s-0000890000-8a428978e1cc1c357efb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00xs-2089510000-371c080976808e03873f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01qa-9000640000-b9d318a7cb12af7165d5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-2900410000-948515e7008b5d8da4d3
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:31 / Updated at June 12, 2020 16:53