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Indralin

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

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Identification

Generic Name
Indralin
DrugBank Accession Number
DB18220
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 368.54
Monoisotopic: 368.181001316
Chemical Formula
C23H28O2S
Synonyms
  • 2-thiophenecarboxylic acid, 5-((1e)-2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propen-1-yl)-
  • 5-((1e)-2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propen-1-yl)-2-thiophenecarboxylic acid
  • Indraline
External IDs
  • AGN-191659
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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
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
ACF4F9H44I
CAS number
156691-86-0
InChI Key
QPAMXNZWXFZISY-SDNWHVSQSA-N
InChI
InChI=1S/C23H28O2S/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+
IUPAC Name
5-[(1E)-2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]thiophene-2-carboxylic acid
SMILES
C\C(=C/C1=CC=C(S1)C(O)=O)C1=CC2=C(C=C1C)C(C)(C)CCC2(C)C

References

General References
Not Available
ChemSpider
4897179
BindingDB
50032220
ChEMBL
CHEMBL91718

Clinical Trials

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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
logP7.46Chemaxon
pKa (Strongest Acidic)1.85Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area37.3 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity110.3 m3·mol-1Chemaxon
Polarizability43.3 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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 13, 2023 21:41 / Updated at September 15, 2023 10:39