NAV

DAPTA

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
DAPTA
DrugBank Accession Number
DB16290
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Weight
Average: 856.888
Monoisotopic: 856.392661143
Chemical Formula
C35H56N10O15
Synonyms
  • Adaptavir
  • Peptide t amide, 1(d-ala)
External IDs
  • DAPTA

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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
J208V4ZMP2
CAS number
106362-34-9
InChI Key
AKWRNBWMGFUAMF-ZESMOPTKSA-N
InChI
InChI = 1 s / C35H56N10O15 c1-13 (36) 29 (54) 41 22 (12-46) 32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1
IUPAC Name
(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-aminopropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-N-[(1S)-1-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]butanediamide
SMILES
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O

References

一般引用
Not Available
ChemSpider
160536
ChEMBL
CHEMBL181276
ZINC
ZINC000169289402

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
2 Unknown Status Treatment Human Immunodeficiency Virus (HIV) Infections 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
Property Value Source
Water Solubility 0.419 mg/mL ALOGPS
logP -1.9 ALOGPS
logP -9 Chemaxon
logS -3.3 ALOGPS
pKa (Strongest Acidic) 9.51 Chemaxon
pKa (Strongest Basic) 8.07 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 16 Chemaxon
Hydrogen Donor Count 16 Chemaxon
Polar Surface Area 437.28 Å2 Chemaxon
Rotatable Bond Count 24 Chemaxon
Refractivity 203.25 m3·mol-1 Chemaxon
Polarizability 83.66 Å3 Chemaxon
Number of Rings 1 Chemaxon
Bioavailability 0 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
医学博士DR-like Rule No Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:18 / Updated at December 20, 2020 03:40