NAV

YT-001

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

Identification

Generic Name
YT-001
DrugBank Accession Number
DB18564
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1054.338
Monoisotopic: 1053.668548646
Chemical Formula
C51H91N9O14
Synonyms
  • L-Threonine, N-(1-oxotetradecyl)-L-α-glutamyl-L-alanyl-L-valyl-L-seryl-L-leucyl-L-lysyl-L-prolyl-
  • N-myristoylated -Glu-Ala-Val-Ser-Leu-Lys-Pro-Thr
External IDs
  • YT-001
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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
256XF8BC7R
CAS number
1072301-78-0
InChI Key
JIZVBWPFTIJRJW-XXNHCHLUSA-N
InChI
InChI=1S/C51H91N9O14/c1-8-9-10-11-12-13-14-15-16-17-18-24-40(63)54-35(25-26-41(64)65)45(67)53-33(6)44(66)58-42(32(4)5)49(71)57-38(30-61)47(69)56-37(29-31(2)3)46(68)55-36(22-19-20-27-52)50(72)60-28-21-23-39(60)48(70)59-43(34(7)62)51(73)74/h31-39,42-43,61-62H,8-30,52H2,1-7H3,(H,53,67)(H,54,63)(H,55,68)(H,56,69)(H,57,71)(H,58,66)(H,59,70)(H,64,65)(H,73,74)/t33-,34+,35-,36-,37-,38-,39+,42-,43-/m0/s1
IUPAC Name
(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-4-tetradecanamidobutanoic acid
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O

References

General References
Not Available
Not Available

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-1.7Chemaxon
pKa (Strongest Acidic)3.56Chemaxon
pKa (Strongest Basic)10.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count15Chemaxon
Hydrogen Donor Count12Chemaxon
Polar Surface Area365.09 Å2Chemaxon
Rotatable Bond Count39Chemaxon
Refractivity272.23 m3·mol-1Chemaxon
Polarizability114.76 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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 29, 2023 20:54 / Updated at September 30, 2023 19:52