NAV

AIM-102

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

Identification

Generic Name
AIM-102
DrugBank Accession Number
DB16176
Background

AIM-102 is under investigation in clinical trial NCT01501942 (Efficacy, Safety, Tolerability, Pharmacodynamics and Pharmacokinetics of Oral Administration of AIM-102 in Patients With Mild to Moderate Allergic Asthma).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 357.407
Monoisotopic: 357.189985601
Chemical Formula
C16H27N3O6
Synonyms
Not Available
External IDs
  • AIM-102
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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
3JX85UOO24
CAS number
551936-17-5
InChI Key
CNDMSQXUUIBFPE-VXGBXAGGSA-N
InChI
InChI=1S/C16H27N3O6/c17-11(8-10-4-2-1-3-5-10)15(24)19-12(6-7-13(20)21)16(25)18-9-14(22)23/h10-12H,1-9,17H2,(H,18,25)(H,19,24)(H,20,21)(H,22,23)/t11-,12-/m1/s1
IUPAC Name
(4R)-4-[(2R)-2-amino-3-cyclohexylpropanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid
SMILES
N[C@H](CC1CCCCC1)C(=O)N[C@H](CCC(O)=O)C(=O)NCC(O)=O

References

General References
Not Available
ChemSpider
8301633
ZINC
ZINC000034269848

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAsthma1

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
Water Solubility0.812 mg/mLALOGPS
logP-2.1ALOGPS
logP-3.1Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)3.16Chemaxon
pKa (Strongest Basic)8.13Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area158.82 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity87.06 m3·mol-1Chemaxon
Polarizability36.94 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-0429000000-9371c7dbe5b6009462bb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-5009000000-588dfb22b45213be2f3c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-8944000000-a711cbc911a6787b5c48
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a73-9725000000-5476cb268d9f1edc5204
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-7900000000-6907de5f9d01fa769183
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-6931000000-357649ac5617bd9e6abc
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-195.318871
predicted
DarkChem Lite v0.1.0
[M+H]+195.074971
predicted
DarkChem Lite v0.1.0
[M+Na]+194.988471
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 18:14 / Updated at December 20, 2020 03:38