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Diampromide

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Overview

Structure
DrugBank ID
DB01502
Type
Small Molecule
US Approved
NO
Other Approved
NO
Patents
0
Indicated Conditions
0
Clinical Trials
Phase 0
0
Phase 1
0
Phase 2
0
Phase 3
0
Phase 4
0

Identification

Generic Name
Diampromide
DrugBank Accession Number
DB01502
Background

Not Available

Type
Small Molecule
Groups
Experimental, Illicit
Structure
3D
Similar Structures
Weight
Average: 324.4598
Monoisotopic: 324.220163528
Chemical Formula
C21H28N2O
Synonyms
  • Diampromide
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Pharmacology

Indication

Not Available

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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Anilides
Alternative Parents
Phenethylamines / Aralkylamines / Tertiary carboxylic acid amides / Trialkylamines / Amino acids and derivatives / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Amine / Amino acid or derivatives / Anilide / Aralkylamine / Aromatic homomonocyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Hydrocarbon derivative / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
26G7YC77BU
CAS number
552-25-0
InChI Key
RXTHKWVSXOIHJS-UHFFFAOYSA-N
InChI
InChI=1S/C21H28N2O/c1-4-21(24)23(20-13-9-6-10-14-20)17-18(2)22(3)16-15-19-11-7-5-8-12-19/h5-14,18H,4,15-17H2,1-3H3
IUPAC Name
N-{2-[methyl(2-phenylethyl)amino]propyl}-N-phenylpropanamide
SMILES
CCC(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
62370
PubChem Substance
46505265
ChemSpider
56158
ChEBI
135386
ChEMBL
CHEMBL2106220
Wikipedia
Diampromide

Clinical Trials

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
Solid
Experimental Properties
PropertyValueSource
melting point (°C)< 25 °CPhysProp
boiling point (°C)176 °C at 5.00E-01 mm HgPhysProp
Predicted Properties
PropertyValueSource
Water Solubility0.0276 mg/mLALOGPS
logP3.95ALOGPS
logP4.22Chemaxon
logS-4.1ALOGPS
pKa (Strongest Basic)8.74Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area23.55 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity100.47 m3·mol-1Chemaxon
Polarizability38.34 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9555
Blood Brain Barrier+0.9895
Caco-2 permeable+0.7074
P-glycoprotein substrateSubstrate0.685
P-glycoprotein inhibitor IInhibitor0.5517
P-glycoprotein inhibitor IINon-inhibitor0.817
Renal organic cation transporterNon-inhibitor0.5301
CYP450 2C9 substrateNon-substrate0.8213
CYP450 2D6 substrateNon-substrate0.5953
CYP450 3A4 substrateSubstrate0.6471
CYP450 1A2 substrateNon-inhibitor0.7038
CYP450 2C9 inhibitorNon-inhibitor0.919
CYP450 2D6 inhibitorNon-inhibitor0.648
CYP450 2C19 inhibitorNon-inhibitor0.7621
CYP450 3A4 inhibitorNon-inhibitor0.7777
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7283
Ames testNon AMES toxic0.8495
CarcinogenicityNon-carcinogens0.5617
BiodegradationNot ready biodegradable0.9928
Rat acute toxicity2.3740 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.8472
hERG inhibition (predictor II)Inhibitor0.6151
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-03fr-4920000000-bb8391c2f318c448c7a5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ar0-1921000000-d5e896076e72bc1e44bd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0915000000-7426e9ac4e0663936c51
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-2900000000-bc397f2cdf86b5973395
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-008d-3900000000-1978a5e2952af7d34ea4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bu3-5900000000-fba00bb0f7f4135031dd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9700000000-48abac5ce426553996f3
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]-175.12477
predicted
DeepCCS 1.0 (2019)
[M+H]+177.48279
predicted
DeepCCS 1.0 (2019)
[M+Na]+184.00432
predicted
DeepCCS 1.0 (2019)

Drug created at July 31, 2007 13:10 / Updated at February 21, 2021 18:51