Clorgiline
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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
- 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
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UAmine oxidase [flavin-containing] A Not Available Humans - 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when Clorgiline is combined with 1,2-Benzodiazepine. Abaloparatide Clorgiline may increase the orthostatic hypotensive activities of Abaloparatide. Abciximab The risk or severity of bleeding and hemorrhage can be increased when Clorgiline is combined with Abciximab. Acarbose Clorgiline may increase the hypoglycemic activities of Acarbose. Acebutolol Clorgiline may increase the hypotensive activities of Acebutolol. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Clorgiline hydrochloride H38V165133 17780-75-5 BBAZDLONIUABKI-UHFFFAOYSA-N
Categories
- Drug Categories
- Agents that produce hypertension
- Amines
- Antidepressive Agents
- Central Nervous System Agents
- Central Nervous System Depressants
- Enzyme Inhibitors
- Monoamine Oxidase A Inhibitors
- Monoamine Oxidase Inhibitors
- Propylamines
- Psychotropic Drugs
- Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
- 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
- External Links
- 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);">
Phase Status Purpose Conditions Count
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
Property Value Source Water Solubility 0.014 mg/mL ALOGPS logP 3.71 ALOGPS logP 3.33 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 8.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 72.6 m3·mol-1 Chemaxon Polarizability 28.35 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9481 Blood Brain Barrier + 0.9682 Caco-2 permeable + 0.7012 P-glycoprotein substrate Substrate 0.5332 P-glycoprotein inhibitor I Non-inhibitor 0.6325 P-glycoprotein inhibitor II Non-inhibitor 0.7794 Renal organic cation transporter Inhibitor 0.7113 CYP450 2C9 substrate Non-substrate 0.7932 CYP450 2D6 substrate Non-substrate 0.5143 CYP450 3A4 substrate Substrate 0.6456 CYP450 1A2 substrate Inhibitor 0.9107 CYP450 2C9 inhibitor Non-inhibitor 0.9071 CYP450 2D6 inhibitor Inhibitor 0.8931 CYP450 2C19 inhibitor Inhibitor 0.8995 CYP450 3A4 inhibitor Non-inhibitor 0.831 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.5645 Ames test Non AMES toxic 0.5138 Carcinogenicity Non-carcinogens 0.7632 Biodegradation Not ready biodegradable 0.9943 Rat acute toxicity 2.6568 LD50, mol/kg Not applicable hERG inhibition (predictor I) Strong inhibitor 0.8929 hERG inhibition (predictor II) Inhibitor 0.6764
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-00m0-9310000000-039232a20e1603d993e1 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-1190000000-43e8f1ff1f7691b4973f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0089-9070000000-ab921025b03dedb2cfe2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9220000000-a1abd4c36d4f32964d52 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01qc-9210000000-2ea2a81926c27780c5a6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01q9-9400000000-52f7d61a35dba079bb40 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01p6-9320000000-7d6dc76e58a395a0c05d Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 148.61595 predictedDeepCCS 1.0 (2019) [M+H]+ 152.24785 predictedDeepCCS 1.0 (2019) [M+Na]+ 161.1327 predictedDeepCCS 1.0 (2019)
Targets
![](https://go.drugbank.com/assets/locked/DrugTargets2-682eb846d210ae4bf33ca03febccfb57bb1c61318e699b729e5df4dfab2c5b67.png)
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1. DetailsAmine 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
- 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