Atiprimod

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

Identification

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Name
Atiprimod
Accession Number
DB05513
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • Atiprimod
  • Azaspirane
  • N,N-Diethyl-8,8-dipropyl-2-azaspiro(4.5)decane-2-propanamine
External IDs
SK&F-106615 / SKF 106615 / SKF-106615
International/Other Brands
Atiprimod
Categories
Not Available
UNII
MG7D3QD743
CAS number
123018-47-3
Weight
Average: 336.608
Monoisotopic: 336.350449425
Chemical Formula
C22H44N2
InChI Key
SERHTTSLBVGRBY-UHFFFAOYSA-N
InChI
InChI=1S/C22H44N2/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4/h5-20H2,1-4H3
IUPAC Name
(3-{8,8-dipropyl-2-azaspiro[4.5]decan-2-yl}propyl)diethylamine
SMILES
CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1

Pharmacology

Indication

Investigated for use/treatment in cancer/tumors (unspecified), multiple myeloma, and rheumatoid arthritis.

Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UInterleukin-6Not AvailableHumans
UTumor necrosis factorNot AvailableHumans
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
114962
ChEMBL
CHEMBL103735
Wikipedia
Atiprimod

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentCancer, Advanced1
1, 2CompletedTreatmentMultiple Myeloma (MM)1
1, 2Unknown StatusTreatmentCancer, Advanced1
2CompletedTreatmentNeuroendocrine Carcinomas2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000701 mg/mLALOGPS
logP6.19ALOGPS
logP5.37ChemAxon
logS-5.7ALOGPS
pKa (Strongest Basic)10.2ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area6.48 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity108.21 m3·mol-1ChemAxon
Polarizability44.46 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azaspirodecane derivatives
Sub Class
Not Available
Direct Parent
Azaspirodecane derivatives
Alternative Parents
N-alkylpyrrolidines / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Azaspirodecane / N-alkylpyrrolidine / Pyrrolidine / Tertiary aliphatic amine / Tertiary amine / Azacycle / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organonitrogen compound
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Interleukin-6 receptor binding
Specific Function
Cytokine with a wide variety of biological functions. It is a potent inducer of the acute phase response. Plays an essential role in the final differentiation of B-cells into Ig-secreting cells Inv...
Gene Name
IL6
Uniprot ID
P05231
Uniprot Name
Interleukin-6
Molecular Weight
23717.965 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Tumor necrosis factor receptor binding
Specific Function
Cytokine that binds to TNFRSF1A/TNFR1 and TNFRSF1B/TNFBR. It is mainly secreted by macrophages and can induce cell death of certain tumor cell lines. It is potent pyrogen causing fever by direct ac...
Gene Name
TNF
Uniprot ID
P01375
Uniprot Name
Tumor necrosis factor
Molecular Weight
25644.15 Da

Drug created on November 18, 2007 11:25 / Updated on June 04, 2019 06:17