| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 15 | Yes |
Popular Name: 6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline 6-Methoxy-2,3,4,9-tetrahydro-1H-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 20315-68-8 , 35764-54-6
1H-pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-6-methoxy-
1H-Pyrido[3,4-b]indole,2,3,4,9-tetrahydro-6-methoxy-
6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole
6-Methoxy-1,2,3,4-tetrahydro-ß-carboline
6-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
6-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
6-methoxy-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indolehydrochloride
| 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) | 1.96 | 2.54 | -7.62 | 2 | 3 | 0 | 37 | 202.257 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antiparkinsonic | ZereneX Building Blocks |
| Purity | 95% | Fluorochem |
| biological_source | Alkaloid from Desmodium pulchellum (Leguminosae) | ZereneX Building Blocks |
| biological_use | Antiparkinsonic | IBScreen Bioactives |
| mechanism | CNS stimulant | IBScreen Bioactives IBScreen Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| mechanism | Monoamine oxidase inhibitor | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4780 | 0.50 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2190 | 0.53 | Binding ≤ 10μM |
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7830 | 0.48 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7830 | 0.48 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7830 | 0.48 | Binding ≤ 10μM |
| AOFA-2-E | Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic | Eukaryotes | 1640 | 0.54 | Binding ≤ 10μM |
| AOFB-2-E | Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic | Eukaryotes | 1640 | 0.54 | Binding ≤ 10μM |
| NISCH-2-E | Nischarin (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1640 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 7830 | 0.48 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 7830 | 0.48 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 7830 | 0.48 | Binding ≤ 10μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 1640 | 0.54 | Binding ≤ 10μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 1640 | 0.54 | Binding ≤ 10μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 1640 | 0.54 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 1400 | 0.55 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 2190 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (z) signalling events | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Serotonin receptors |
