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CPZEN-45

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Data Packages
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Identification

Generic Name
CPZEN-45
DrugBank Accession Number
DB18077
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 688.735
Monoisotopic: 688.306806261
Chemical Formula
C32H44N6O11
Synonyms
  • 5-{[(5-amino-3,3-dihydroxyoxolan-2-yl)oxy][5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-N-(4-butylphenyl)-4,7-dimethyl-6-oxocyclohept-1-ene-1-carboxamide
  • Uridine, 5'-o-(5-amino-5-deoxy-.beta.-d-ribofuranosyl)-5'-c-((2s)-5-(((4-butylphenyl)amino)carbonyl)-2,3,4,7-tetrahydro-1,4-dimethyl-3-oxo-1h-1,4-diazepin-2-yl)-, (5's)-
External IDs
  • CPZEN-45
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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
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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
LLP2Z9Z2EK
CAS number
737759-36-3
InChI Key
RQVDLVWYEOCAJE-KDHSHZOVSA-N
InChI
InChI=1S/C32H44N6O11/c1-4-5-6-16-7-9-17(10-8-16)34-28(44)18-11-13-36(2)21(29(45)37(18)3)26(49-31-25(43)22(40)19(15-33)47-31)27-23(41)24(42)30(48-27)38-14-12-20(39)35-32(38)46/h7-12,14,19,21-27,30-31,40-43H,4-6,13,15,33H2,1-3H3,(H,34,44)(H,35,39,46)/t19-,21-,22-,23-,24-,25+,26+,27-,30-,31+/m1/s1
IUPAC Name
(2S)-2-[(S)-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-(4-butylphenyl)-1,4-dimethyl-3-oxo-2,3,4,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
SMILES
[H][C@@]1(O[C@H]([C@@]2([H])O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@]2([H])N(C)CC=C(N(C)C2=O)C(=O)NC2=CC=C(CCCC)C=C2)O[C@H](CN)[C@@H](O)[C@H]1O

References

General References
Not Available
ChemSpider
34524069
BindingDB
50526647
ChEMBL
CHEMBL4469883
ZINC
ZINC000299870315

Clinical Trials

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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
logP-1.7Chemaxon
pKa (Strongest Acidic)8.53Chemaxon
pKa (Strongest Basic)9.27Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count13Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area236.69 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity173.11 m3·mol-1Chemaxon
Polarizability69.79 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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 09, 2023 01:20 / Updated at September 12, 2023 18:33