NAV

Clorgiline

Identification

Generic Name
Clorgiline
DrugBank Accession Number
DB04017
Background

An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 272.17
Monoisotopic: 271.053069521
Chemical Formula
C13H15Cl2NO
Synonyms
  • Clorgilina
  • Clorgiline
  • Clorgilinum
  • Clorgyline
External IDs
  • BRN 1976758
  • M & B 9302
  • M and B 9302
  • M&B 9302
  • M&B-9302
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

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
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UAmine oxidase [flavin-containing] ANot 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

Adverse Effects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" 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.
DrugInteraction
Integrate drug-drug
interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Clorgiline is combined with 1,2-Benzodiazepine.
AbaloparatideClorgiline may increase the orthostatic hypotensive activities of Abaloparatide.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Clorgiline is combined with Abciximab.
AcarboseClorgiline may increase the hypoglycemic activities of Acarbose.
AcebutololClorgiline may increase the hypotensive activities of Acebutolol.
Food Interactions
Not Available

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
IngredientUNIICASInChI Key
Clorgiline hydrochlorideH38V16513317780-75-5BBAZDLONIUABKI-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Aryl chlorides / Trialkylamines / Acetylides / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
1,3-dichlorobenzene / Acetylide / Alkyl aryl ether / Amine / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Ether / Hydrocarbon derivative / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
terminal acetylenic compound, tertiary amino compound, aromatic ether, dichlorobenzene (CHEBI:3763) / a small molecule (CPD-7656)
Affected organisms
Not Available

Chemical Identifiers

UNII
LYJ16FZU9Q
CAS number
17780-72-2
InChI Key
BTFHLQRNAMSNLC-UHFFFAOYSA-N
InChI
InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
IUPAC Name
[3-(2,4-dichlorophenoxy)propyl](methyl)(prop-2-yn-1-yl)amine
SMILES
CN(CCCOC1=CC=C(Cl)C=C1Cl)CC#C

References

General References
Not Available
KEGG Drug
D03248
KEGG Compound
C11685
PubChem Compound
4380
PubChem Substance
46507410
ChemSpider
4227
BindingDB
15581
ChEBI
3763
ChEMBL
CHEMBL8706
ZINC
ZINC000022200090
PDBe Ligand
MLG
Wikipedia
Clorgiline
PDB Entries
1o5w / 2bxr / 2bxs

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility0.014 mg/mLALOGPS
logP3.71ALOGPS
logP3.33Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)8.4Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area12.47 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity72.6 m3·mol-1Chemaxon
Polarizability28.35 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9481
Blood Brain Barrier+0.9682
Caco-2 permeable+0.7012
P-glycoprotein substrateSubstrate0.5332
P-glycoprotein inhibitor INon-inhibitor0.6325
P-glycoprotein inhibitor IINon-inhibitor0.7794
Renal organic cation transporterInhibitor0.7113
CYP450 2C9 substrateNon-substrate0.7932
CYP450 2D6 substrateNon-substrate0.5143
CYP450 3A4 substrateSubstrate0.6456
CYP450 1A2 substrateInhibitor0.9107
CYP450 2C9 inhibitorNon-inhibitor0.9071
CYP450 2D6 inhibitorInhibitor0.8931
CYP450 2C19 inhibitorInhibitor0.8995
CYP450 3A4 inhibitorNon-inhibitor0.831
CYP450 inhibitory promiscuityHigh CYP Inhibitory Promiscuity0.5645
Ames testNon AMES toxic0.5138
CarcinogenicityNon-carcinogens0.7632
BiodegradationNot ready biodegradable0.9943
Rat acute toxicity2.6568 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Strong inhibitor0.8929
hERG inhibition (predictor II)Inhibitor0.6764
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-MSsplash10-00m0-9310000000-039232a20e1603d993e1
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1190000000-43e8f1ff1f7691b4973f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0089-9070000000-ab921025b03dedb2cfe2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9220000000-a1abd4c36d4f32964d52
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01qc-9210000000-2ea2a81926c27780c5a6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-9400000000-52f7d61a35dba079bb40
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p6-9320000000-7d6dc76e58a395a0c05d
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]-148.61595
predicted
DeepCCS 1.0 (2019)
[M+H]+152.24785
predicted
DeepCCS 1.0 (2019)
[M+Na]+161.1327
predicted
DeepCCS 1.0 (2019)

Targets

Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock new
insights and accelerate drug research.
Learn more
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
Learn more
Details1. Amine oxidase [flavin-containing] A
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Serotonin binding
Specific Function
Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral...
Gene Name
MAOA
Uniprot ID
P21397
Uniprot Name
Amine oxidase [flavin-containing] A
Molecular Weight
59681.27 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Drug created at June 13, 2005 13:24 / Updated at February 21, 2021 18:51