| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 12 | Yes |
Popular Name: Mecamylamine hydrochloride Mecamylamine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 107596-31-6 , 60-40-2 , 826-39-1 , 826-39-1, 60-40-2 , 826-39-1, 60-40-2 [mecamylamine] , [826-39-1]
2-(Methylamino)isocamphane hydrochloride
2-Methylamino-2,3,3-trimethylnorbornane
2-Norbornanamine, N,2,3,3-tetramethyl-
3-beta-Methylamino-2,2,3-trimethylbicyclo(2.2.1)heptane
3-Methylaminoisocamphane hydrochloride
3-Methylaminoisokamfan [Czech]
60-40-2; C07511; Mecamylamine; Versamine
826-39-1; D00611; Inversine (TN); Mecamylamine hydrochloride (USP)
Bicyclo(2.2.1)heptan-2-amine, N,2,3,3-tetramethyl-
Bicyclo[2.2.1]heptan-2-amine, N,2,3,3-tetramethyl-
bicyclo[2.2.1]heptan-2-amine, N,2,3,3-tetramethyl-, hydrochloride
INN); Mecamylamine Hydrochloride (FDA
methyl(2,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amine
methyl(2,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amine hydrochloride
N,2,2,3-tetramethylbicyclo[2.2.1]heptan-3-amine
N,2,3,3-Tetramethyl-2-norbornamine
N,2,3,3-Tetramethyl-2-norcamphanamine
N,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-amine
N,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-amine 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) | 2.96 | 4.59 | -0.3 | 1 | 1 | 0 | 12 | 167.296 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.24e-01 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| therap | antihypertensive | MicroSource Spectrum |
| Therapy | Nicotinic acetylcholine receptor antagonist | SMDC MicroSource |
| Purity | USP28 | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA2-5-E | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #5 Of 6), Eukaryotic | Eukaryotes | 3100 | 0.64 | Binding ≤ 10μM |
| ACHA3-3-E | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic | Eukaryotes | 280 | 0.76 | Binding ≤ 10μM |
| ACHB2-5-E | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #5 Of 7), Eukaryotic | Eukaryotes | 280 | 0.76 | Binding ≤ 10μM |
| ACHB4-2-E | Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #2 Of 7), Eukaryotic | Eukaryotes | 3100 | 0.64 | Binding ≤ 10μM |
| ACHD-2-E | Acetylcholine Receptor Protein Delta Chain (cluster #2 Of 3), Eukaryotic | Eukaryotes | 200 | 0.78 | Binding ≤ 10μM |
| ACHA7-4-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #4 Of 4), Eukaryotic | Eukaryotes | 1800 | 0.67 | Functional ≤ 10μM |
| Z104288-2-O | Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 2), Other | Other | 3800 | 0.63 | Binding ≤ 10μM |
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 6310 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 200 | 0.78 | Binding ≤ 1μM |
| ACHA3_HUMAN | P32297 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Human | 280 | 0.76 | Binding ≤ 1μM |
| ACHB2_HUMAN | P17787 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Human | 280 | 0.76 | Binding ≤ 1μM |
| Z104288 | Z104288 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 100 | 0.82 | Binding ≤ 1μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 200 | 0.78 | Binding ≤ 10μM |
| ACHA2_HUMAN | Q15822 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Human | 3100 | 0.64 | Binding ≤ 10μM |
| ACHA3_HUMAN | P32297 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Human | 280 | 0.76 | Binding ≤ 10μM |
| ACHB2_HUMAN | P17787 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Human | 280 | 0.76 | Binding ≤ 10μM |
| ACHB4_HUMAN | P30926 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Human | 3100 | 0.64 | Binding ≤ 10μM |
| Z104288 | Z104288 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 100 | 0.82 | Binding ≤ 10μM |
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 1800 | 0.67 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 6000 | 0.61 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors |
No pre-computed analogs available. Try a structural similarity search.