NAV

PF-06700841

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

Identification

Generic Name
PF-06700841
DrugBank Accession Number
DB15003
Background

PF-06700841 is under investigation in clinical trial NCT03236493 (Safety and Pharmacokinetic Study of PF-06700841 in Japanese Healthy Volunteers).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 389.411
Monoisotopic: 389.17756465
Chemical Formula
C18H21F2N7O
Synonyms
Not Available
External IDs
  • PF-06700841
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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
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3X8387Q25N
CAS number
1883299-62-4
InChI Key
BUWBRTXGQRBBHG-MJBXVCDLSA-N
InChI
InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
IUPAC Name
4-[(1R,5S)-8-[(1S)-2,2-difluorocyclopropanecarbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILES
CN1C=C(NC2=NC=CC(=N2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)C=N1

References

General References
Not Available
ChemSpider
71107316
BindingDB
329924
ZINC
ZINC000526061580
PDBe Ligand
G4J
PDB Entries
6dbm / 6dbn

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAcne Inversa1
2CompletedTreatmentActive Non-segmental Vitiligo1
2CompletedTreatmentAlopecia Areata (AA)1
2CompletedTreatmentAtopic Dermatitis1
2CompletedTreatmentChronic Plaque Psoriasis1

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 Solubility1.5 mg/mLALOGPS
logP2.21ALOGPS
logP1.55Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)10.91Chemaxon
pKa (Strongest Basic)4.45Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area79.18 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity109.73 m3·mol-1Chemaxon
Polarizability38.26 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0006-0009000000-2a516c2c6d3f406f3faf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000j-0009000000-46a240561954bcecd5cd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-99d7e7dcc34433e6293e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0019-1009000000-451aea13ed71fe586523
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p9-2389000000-83ddbbd3b1a3d7e73a8b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00e9-3649000000-8f0671f3fccd9aecd34d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:41 / Updated at June 12, 2020 16:53