NAV

JAK4D

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

Identification

Generic Name
JAK4D
DrugBank Accession Number
DB18527
Background

JAK4D is a first-in-class thyrotropin-releasing hormone (TRH)-based compound.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 688.742
Monoisotopic: 688.29691028
Chemical Formula
C34H40N8O8
Synonyms
  • 5-oxo-l-prolyl-l-asparaginyl-l-prolyl-d-tyrosyl-d-tryptophanamide
  • L-pyroglutamyl-l-asparaginyl-l-prolyl-d-tyrosyl-d-tryptophan amide
External IDs
  • JAK4D
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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
AVX7AUJ938
CAS number
882400-49-9
InChI Key
SZQSOKVXBMULDL-VQHLWIOESA-N
InChI
InChI=1S/C34H40N8O8/c35-28(44)16-26(41-31(47)23-11-12-29(45)38-23)34(50)42-13-3-6-27(42)33(49)40-25(14-18-7-9-20(43)10-8-18)32(48)39-24(30(36)46)15-19-17-37-22-5-2-1-4-21(19)22/h1-2,4-5,7-10,17,23-27,37,43H,3,6,11-16H2,(H2,35,44)(H2,36,46)(H,38,45)(H,39,48)(H,40,49)(H,41,47)/t23-,24+,25+,26-,27+/m0/s1
IUPAC Name
(3S)-4-[(2S)-2-{[(1R)-1-{[(1R)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxo-3-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamide
SMILES
NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O

References

General References
Not Available
ChemSpider
9796480
ZINC
ZINC000068056786

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
logP-1.9Chemaxon
pKa (Strongest Acidic)9.49Chemaxon
pKa (Strongest Basic)3.39Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count8Chemaxon
Polar Surface Area258.91 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity176.95 m3·mol-1Chemaxon
Polarizability66.47 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 28, 2023 18:41 / Updated at September 29, 2023 14:17