| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 17 | Yes |
Popular Name: 1-benzyl-1,2,3,4-tetrahydroisoquinoline 1-benzyl-1,2,3,4-tetrahydroisoqu…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1423034-30-3 , 155413-72-2 , 19716-56-4 , [19716-56-4]
(R,S)-Tetrahydrobenzylisoquinoline; (RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline; C05201
(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-Tetrahydro-1-(phenylmethyl)isoquinoline; 1BnTIQ
1-Benzyl-1,2,3,4-tetrahydro-isoquinoline
1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium
1-benzyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
1-benzyl-1,2,3,4-tetrahydroisoquinoline; sulfuric acid
| 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) | 3.48 | 7.76 | -3.25 | 1 | 1 | 0 | 12 | 223.319 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 114 - 116 | Enamine Building Blocks |
| MP | 114...116 | Enamine Building Blocks |
| MP | 159 - 161 | Enamine Building Blocks |
| MP | 159...161 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 96% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PCP-1-E | Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.49 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 430 | 0.52 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 3570 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PCP_HUMAN | P42785 | Lysosomal Pro-X Carboxypeptidase, Human | 1000 | 0.49 | Binding ≤ 1μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 430 | 0.52 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 3570 | 0.45 | Binding ≤ 10μM |
| PCP_HUMAN | P42785 | Lysosomal Pro-X Carboxypeptidase, Human | 1000 | 0.49 | Binding ≤ 10μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 430 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| Intrinsic Pathway |
