| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 18 | Yes |
Popular Name: Moclobemide Moclobemide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 71320-77-9 , [71320-77-9]
4-Chlor-N-(2-morpholinoethyl)benzamid
4-Chloro-N-(2-(4-morpholinyl)ethyl)benzamide
4-Chloro-N-(2-morpholin-4-yl-ethyl)-benzamide
4-Chloro-N-(2-morpholin-4-yl-ethyl)-benzamide; Aurorix; CPD000012114; Moclobemide; SAM001246614
4-Chloro-N-(2-morpholin-4-yl-ethyl)-benzamide; Aurorix; CPD000012114; SAM001246614; moclobemide
4-chloro-N-(2-morpholin-4-ylethyl)benzamide
4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
71320-77-9; Aurorix (TN); D02561; Moclobemide (USAN/INN)
Alphapharm Brand of Moclobemide
Azupharma Brand of Moclobemide
BENZAMIDE, 4-CHLORO-N-(2-(4-MORPHOLINYL)ETHYL)-
betapharm Brand of Moclobemide
Chem mart Brand of Moclobemide
CPD000012114; 4-Chloro-N-(2-morpholin-4-yl-ethyl)-benzamide
ct Arzneimittel Brand of Moclobemide
ct-Arzneimittel Brand of Moclobemide
Healthsense Brand of Moclobemide
Hoffmann La Roche Brand of Moclobemide
Hoffmann-La Roche Brand of Moclobemide
Merck dura Brand of Moclobemide
Moclobemide ct-Arzneimittel Brand
Moclobemide Pharmascience Brand
Novopharm Brand of Moclobemide
p-Chloro-N-(2-morpholinoethyl)benzamide
Pharmascience Brand of Moclobemide
ratiopharm Brand of Moclobemide
Stadapharm Brand of Moclobemide
Terry White Chemists Brand of Moclobemide
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.69 | 2.6 | -8.83 | 1 | 4 | 0 | 42 | 268.744 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.12e+00 g/l | DrugBank-approved |
| Purity | 99% | APIChem |
| Target | MAO | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP06605m | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP06605m | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-2-E | Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic | Eukaryotes | 5 | 0.65 | Binding ≤ 10μM |
| AOFB-2-E | Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic | Eukaryotes | 1080 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 5 | 0.65 | Binding ≤ 1μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 5 | 0.65 | Binding ≤ 1μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 5 | 0.65 | Binding ≤ 10μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 3900 | 0.42 | Binding ≤ 10μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 1080 | 0.46 | Binding ≤ 10μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 1080 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Enzymatic degradation of dopamine by COMT | |
| Enzymatic degradation of Dopamine by monoamine oxidase | |
| Metabolism of serotonin | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Norepinephrine Neurotransmitter Release Cycle |
