NAV

PTX-100

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

Identification

Generic Name
PTX-100
DrugBank Accession Number
DB18125
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 441.532
Monoisotopic: 441.237604498
Chemical Formula
C23H31N5O4
Synonyms
  • 2-{[2-benzyl-4-(5-methyl-3H-imidazol-4-ylmethyl)-3-oxo-piperazine-1-carbonyl]- amino}-4methyl-pentanoic acid
  • GGTI-2418
External IDs
  • GGTI 2418
  • GGTI-2418
  • GGTI2418
  • PTX 100
  • PTX-100
  • PTX100
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
M67G28K74K
CAS number
501010-06-6
InChI Key
COLCNDRDBCLVOC-ICSRJNTNSA-N
InChI
InChI=1S/C23H31N5O4/c1-15(2)11-18(22(30)31)26-23(32)28-10-9-27(13-19-16(3)24-14-25-19)21(29)20(28)12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-13H2,1-3H3,(H,24,25)(H,26,32)(H,30,31)/t18-,20+/m0/s1
IUPAC Name
(2S)-2-{[(2S)-2-benzyl-4-[(4-methyl-1H-imidazol-5-yl)methyl]-3-oxopiperazine-1-carbonyl]amino}-4-methylpentanoic acid
SMILES
CC(C)C[C@H](NC(=O)N1CCN(CC2=C(C)N=CN2)C(=O)[C@@H]1CC1=CC=CC=C1)C(O)=O

References

General References
Not Available
ChemSpider
9714256
BindingDB
50496833
ChEMBL
CHEMBL3218390

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentAdvanced Malignant Neoplasm / Peripheral T-Cell Lymphoma (PTCL)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
logP0.18Chemaxon
pKa (Strongest Acidic)3.98Chemaxon
pKa (Strongest Basic)6.48Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area118.63 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity118.97 m3·mol-1Chemaxon
Polarizability46.75 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 12, 2023 17:17 / Updated at September 12, 2023 18:34