NAV

AK106-001616

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

Identification

Generic Name
AK106-001616
DrugBank Accession Number
DB16058
Background

AK106-001616 is under investigation in clinical trial NCT01285752 (A Study of AK106-001616 in Patients With Rheumatoid Arthritis (RA)).

Type
Small Molecule
Groups
Investigational
Structure
 3D
Similar Structures
Weight
Average: 427.504
Monoisotopic: 427.189591677
Chemical Formula
C26H25N3O3
Synonyms
Not Available
External IDs
  • AK-106
  • AK106
  • AK106-001616

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information oncontraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including:blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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
I2CST2BV1Q
CAS number
590416-75-4
InChI Key
ULNYPYSSPODXCS-UHFFFAOYSA-N
InChI
InChI=1S/C26H25N3O3/c1-29-24-8-7-19(12-20(24)15-28-29)22-10-16(6-9-25(30)31)11-23(27)26(22)32-21-13-17-4-2-3-5-18(17)14-21/h2-5,7-8,10-12,15,21H,6,9,13-14,27H2,1H3,(H,30,31)
IUPAC Name
3-[3-amino-4-(2,3-dihydro-1H-inden-2-yloxy)-5-(1-methyl-1H-indazol-5-yl)phenyl]propanoic acid
SMILES
CN1N=CC2=C1C=CC(=C2)C1=C(OC2CC3=C(C2)C=CC=C3)C(N)=CC(CCC(O)=O)=C1

References

一般引用
Not Available
ChemSpider
11454912
ChEMBL
CHEMBL4297481

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
2 Completed Treatment Rheumatoid Arthritis 2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
剂型
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
Property Value Source
Water Solubility 0.00183 mg/mL ALOGPS
logP 4.81 ALOGPS
logP 3.65 Chemaxon
logS -5.4 ALOGPS
pKa (Strongest Acidic) 3.65 Chemaxon
pKa (Strongest Basic) 4.8 Chemaxon
Physiological Charge -1 Chemaxon
Hydrogen Acceptor Count 5 Chemaxon
Hydrogen Donor Count 2 Chemaxon
Polar Surface Area 90.37 Å2 Chemaxon
Rotatable Bond Count 6 Chemaxon
Refractivity 135.84 m3·mol-1 Chemaxon
Polarizability 46.33 Å3 Chemaxon
Number of Rings 5 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
医学博士DR-like Rule Yes Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:35