VTP-27999

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

Identification

Generic Name
VTP-27999
DrugBank Accession Number
DB12416
Background

VTP-27999 has been used in trials studying the basic science of Renal Function.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 525.081
Monoisotopic: 524.276548149
Chemical Formula
C26H41ClN4O5
Synonyms
Not Available
External IDs
  • VTP 27999
  • VTP-27999
  • VTP27999

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.
DrugInteraction
Azilsartan medoxomilThe risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Azilsartan medoxomil.
Candesartan cilexetilThe risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Candesartan cilexetil.
EprosartanThe risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Eprosartan.
IrbesartanThe risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Irbesartan.
LosartanThe risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Losartan.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as piperidinecarboxamides. These are compounds containing a piperidine ring substituted with a carboxamide functional group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Piperidinecarboxylic acids and derivatives
Direct Parent
Piperidinecarboxamides
Alternative Parents
Benzylethers / Chlorobenzenes / Oxanes / Aryl chlorides / Methylcarbamates / Ureas / Oxacyclic compounds / Dialkylamines / Dialkyl ethers / Azacyclic compounds
show 5 more
Substituents
1-piperidinecarboxamide / Amine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Benzylether / Carbamic acid ester / Carbonyl group
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
254XY8NV84
CAS number
942142-51-0
InChI Key
NXWASIVXQMMPLM-ZXMXYHOLSA-N
InChI
InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1
IUPAC Name
methyl N-{2-[(R)-(3-chlorophenyl)[(3R)-1-{[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl}piperidin-3-yl]methoxy]ethyl}carbamate
SMILES
[H][C@]1(CCCN(C1)C(=O)NC[C@H](C[C@H]1CCCOC1)NC)[C@@H](OCCNC(=O)OC)C1=CC=CC(Cl)=C1

References

General References
Not Available
PubChem Compound
16126898
PubChem Substance
347828660
ChemSpider
17283747
BindingDB
50382334
ChEMBL
CHEMBL1276678
ZINC
ZINC000035328520
PDBe Ligand
RX5
PDB Entries
3q4b

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceRenal Function1

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 Solubility0.0223 mg/mLALOGPS
logP2.47ALOGPS
logP2.36Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)14.25Chemaxon
pKa (Strongest Basic)9.8Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area101.16 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity139.42 m3·mol-1Chemaxon
Polarizability57.77 Å3Chemaxon
Number of Rings3Chemaxon
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, Positive (Annotated)Predicted LC-MS/MSsplash10-05dl-0402940000-d56927708bffabf480d3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-044l-3001920000-7436ff6a26e0f711c563
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-016r-3243930000-93c21de2670326324602
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9201400000-363b50d9345d724aacb5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dl-9542310000-fe7d99c0bedcce3d588f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0awc-4179500000-3b2ae503cf21382a6d6b
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-212.66982
predicted
DeepCCS 1.0 (2019)
[M+H]+214.53448
predicted
DeepCCS 1.0 (2019)
[M+Na]+220.1523
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:18 / Updated at June 12, 2020 16:53