| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 10 | Yes |
Popular Name: (+)-Tranylcypromine Hydrochloride (+)-Tranylcypromine Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13492-01-8 , 155-09-9 , 1986-47-6 , 4548-34-9 , 54-97-7 , 61-81-4 , 95-62-5
(+)-Tranylcyamine Hydrochloride
(1S,2R)-2-phenylcyclopropan-1-amine hydrochloride
(1S,2R)-2-PHENYLCYCLOPROPANAMINE HCL
1986-47-6; Prestwick_477; Tranylcypromine hydrochloride
2-Phenyl-cyclopropylamine hydrochloride
2-phenylcyclopropan-1-amine hydrochloride
2-Phenylcyclopropanamine hydrochloride
INN); Tranylcypromine Sulfate (FDA
Trans-2-phenylcyclopropylamine hydrochloride
| 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) | 1.43 | 3.92 | -43.08 | 3 | 1 | 1 | 28 | 134.202 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 3.59 | -2.32 | 2 | 1 | 0 | 26 | 133.194 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 155 - 157 | Enamine Building Blocks |
| MP | 155...157 | Enamine Building Blocks |
| MP | 156 - 158 | Enamine Building Blocks |
| MP | 162 - 169 | Enamine Building Blocks |
| MP | 162...169 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0946561A1; EP0996620A1; US6156756; WO1999005142A1 | IBM Patent Data |
| Target | MAO | Selleck Chemicals |
| Therapy | MAO inhibitor; antidepressant | SMDC MicroSource |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-1-E | Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic | Eukaryotes | 33 | 1.05 | Binding ≤ 10μM |
| 5HT2C-1-E | 5-hydroxytryptamine Receptor 2C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2697 | 0.78 | Functional ≤ 10μM |
| TAAR1-2-E | Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1510 | 0.81 | Functional ≤ 10μM |
| CP2B6-2-E | Cytochrome P450 2B6 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 6960 | 0.72 | ADME/T ≤ 10μM |
| CP2CJ-1-E | Cytochrome P450 2C19 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3040 | 0.77 | ADME/T ≤ 10μM |
| Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 900 | 0.85 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 33 | 1.05 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 33 | 1.05 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1700 | 0.81 | Functional ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 2697 | 0.78 | Functional ≤ 10μM |
| TAAR1_HUMAN | Q96RJ0 | Trace Amine-associated Receptor 1, Human | 1510 | 0.81 | Functional ≤ 10μM |
| CP2B6_HUMAN | P20813 | Cytochrome P450 2B6, Human | 6960 | 0.72 | ADME/T ≤ 10μM |
| CP2CJ_HUMAN | P33261 | Cytochrome P450 2C19, Human | 3040 | 0.77 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Amine ligand-binding receptors | |
| CYP2E1 reactions | |
| Fatty acids | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Serotonin receptors | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Xenobiotics |
