| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 14 | Yes |
Popular Name: 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride 7-(Trifluoromethyl)-1,2,3,4-tetr…
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CAS Numbers: 199678-32-5 , 220247-87-0 , [199678-32-5] , [220247-87-0]
7- -1,2,3,4-tetrahydroisoquinoline
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hcl
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline, HCl
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinolinehydrochloride
7-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINEHYDROCHLORIDE
7-Trifluoromethyl-1,2,3,4-tetrahydroisoquinoline
7-Trifluoromethyl-1,2,3,4-tetrahydroisoquinoline 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) | 2.36 | 4.16 | -3.59 | 1 | 1 | 0 | 12 | 201.191 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1300 | 0.59 | Binding ≤ 10μM |
| ADA2B-4-E | Alpha-2b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 1300 | 0.59 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1300 | 0.59 | Binding ≤ 10μM |
| PNMT-1-E | Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 180 | 0.67 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 180 | 0.67 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 1300 | 0.59 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1300 | 0.59 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1300 | 0.59 | Binding ≤ 10μM |
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 180 | 0.67 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
No pre-computed analogs available. Try a structural similarity search.