| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 13 | Yes |
Popular Name: Ly-134046 Ly-134046
None
| 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) | 3.27 | -0.95 | -40.91 | 2 | 1 | 1 | 16 | 217.119 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.15e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4500 | 0.58 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4500 | 0.58 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4500 | 0.58 | Binding ≤ 10μM |
| PNMT-1-E | Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4400 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 220 | 0.72 | Binding ≤ 1μM |
| PNMT_HUMAN | P11086 | Phenylethanolamine N-methyltransferase, Human | 10 | 0.86 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 4500 | 0.58 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 4500 | 0.58 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 4500 | 0.58 | Binding ≤ 10μM |
| PNMT_HUMAN | P11086 | Phenylethanolamine N-methyltransferase, Human | 10 | 0.86 | Binding ≤ 10μM |
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 220 | 0.72 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Catecholamine biosynthesis | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
