| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 17 | Yes |
Popular Name: CLORGILINE HYDROCHLORIDE CLORGILINE HYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17780-72-2 , 17780-72-2 (base) , 17780-75-5
17780-72-2; C11685; Clorgyline
17780-72-2; Clorgiline (INN); Clorgyline; D03248
17780-75-5; Clorgyline hydrochloride; Prestwick_762
2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-
2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl- (9CI)
2-Propynylamine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-
3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
clorgilina; clorgiline; clorgilinum
CPD-7656; clorgiline; clorgyline
N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamine
N-Methyl-N-Propargyl-3-(2,4-Dichlorophenoxy)Propylamine
N-Methyl-N-propargyl-3-(2,4-dichlorophenoxy)propylamine hydrochloride
N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
| 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) | 3.74 | 6.76 | -5.74 | 0 | 2 | 0 | 12 | 272.175 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.40e-02 g/l | DrugBank-experimental |
| UniProt Database Links | AOF_DANRE | ChEBI |
| therap | MAO-A inhibitor, antidepressant, antiparkinsonian | MicroSource World Drugs |
| Therapy | Selective MAO-A inhibitor | SMDC Pharmakon |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-5-E | Monoamine Oxidase A (cluster #5 Of 8), Eukaryotic | Eukaryotes | 54 | 0.60 | Binding ≤ 10μM |
| AOFB-6-E | Monoamine Oxidase B (cluster #6 Of 8), Eukaryotic | Eukaryotes | 680 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_BOVIN | P21398 | Monoamine Oxidase A, Bovin | 54 | 0.60 | Binding ≤ 1μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 0.1 | 0.82 | Binding ≤ 1μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 0.7 | 0.75 | Binding ≤ 1μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 0.7 | 0.75 | Binding ≤ 1μM |
| AOFA_BOVIN | P21398 | Monoamine Oxidase A, Bovin | 54 | 0.60 | Binding ≤ 10μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 0.1 | 0.82 | Binding ≤ 10μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 0.7 | 0.75 | Binding ≤ 10μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 0.7 | 0.75 | 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 |
