NAV

AB-22

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

Identification

Generic Name
AB-22
DrugBank Accession Number
DB18296
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 475.98
Monoisotopic: 475.2098656
Chemical Formula
C22H30ClN7O3
Synonyms
  • Hydrazinecarboxamide, n-(2-chloro-6-propoxy-4-pyridinyl)-2-(1,3-dimethyl-4-(1-methylethyl)-1h-pyrazolo(3,4-b)pyridin-6-yl)-2-(2-hydroxyethyl)-
  • N-(2-chloro-6-propoxypyridin-4-yl)-2-(2-hydroxyethyl)-2-(4-isopropyl-1,3-dimethyl-1h-pyrazolo(3,4-b)pyridin-6-yl)hydrazinecarboxamide
  • N-(2-chloro-6-propoxypyridin-4-yl)-2-(2-hydroxyethyl)-2-(4-isopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl)hydrazinecarboxamide
External IDs
  • AB-22
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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
R228S06SOH
CAS number
1463913-43-0
InChI Key
GOQBSVFOBGVWTA-UHFFFAOYSA-N
InChI
InChI=1S/C22H30ClN7O3/c1-6-9-33-19-11-15(10-17(23)25-19)24-22(32)28-30(7-8-31)18-12-16(13(2)3)20-14(4)27-29(5)21(20)26-18/h10-13,31H,6-9H2,1-5H3,(H2,24,25,28,32)
IUPAC Name
1-(2-chloro-6-propoxypyridin-4-yl)-3-{[1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl](2-hydroxyethyl)amino}urea
SMILES
CCCOC1=CC(NC(=O)NN(CCO)C2=CC(C(C)C)=C3C(C)=NN(C)C3=N2)=CC(Cl)=N1

References

General References
Not Available
ChemSpider
68007211
BindingDB
329379

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
logP3.83Chemaxon
pKa (Strongest Acidic)11.8Chemaxon
pKa (Strongest Basic)1.38Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area117.43 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity151.26 m3·mol-1Chemaxon
Polarizability51.58 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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 15, 2023 21:53 / Updated at September 17, 2023 04:15