NAV

PHI-101

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

Identification

Generic Name
PHI-101
DrugBank Accession Number
DB17237
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 386.45
Monoisotopic: 386.121275205
Chemical Formula
C19H19FN4O2S
Synonyms
  • 2-thiophenecarboxamide, 3-((aminocarbonyl)amino)-5-(2-(3-fluorophenyl)ethynyl)-n-(3s)-3-piperidinyl-
  • N-(2-(n-((3s)(3-piperidyl))carbamoyl)-5-(2-(3-fluorophenyl)ethynyl)(3-thienyl))aminamide
  • PHI101
External IDs
  • PHI-101
  • PHI101
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
U2UY9TBQ8Z
CAS number
2127107-15-5
InChI Key
ULVAGWVTXBTFRN-AWEZNQCLSA-N
InChI
InChI=1S/C19H19FN4O2S/c20-13-4-1-3-12(9-13)6-7-15-10-16(24-19(21)26)17(27-15)18(25)23-14-5-2-8-22-11-14/h1,3-4,9-10,14,22H,2,5,8,11H2,(H,23,25)(H3,21,24,26)/t14-/m0/s1
IUPAC Name
3-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILES
NC(=O)NC1=C(SC(=C1)C#CC1=CC=CC(F)=C1)C(=O)N[C@H]1CCCNC1

References

General References
Not Available
ChEMBL
CHEMBL4802136

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentPlatinum drug resistant Fallopian tube cancer / Platinum-refractory Ovarian Carcinoma / Platinum-resistant Ovarian Cancer / Platinum-Resistant Primary Peritoneal Carcinoma1
1RecruitingTreatmentRelapsed or Refractory Acute Myeloid Leukemia (AML)1

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 Solubility0.00987 mg/mLALOGPS
logP1.46ALOGPS
logP3.01Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)11.93Chemaxon
pKa (Strongest Basic)9.52Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area96.25 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity98.24 m3·mol-1Chemaxon
Polarizability40.63 Å3Chemaxon
Number of Rings3Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 29, 2022 18:56 / Updated at July 18, 2023 22:58