| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 32 | Yes |
4-[ -ALPHA-( -3-HYDROXYBENZYL]-N,N-DIETHYLBENZAMIDE
4-[(AR*)-A-((2S*,5R*)-4-ALLYL-2,5-DIMETHYL-1-PIPERAZINYL)-3-HYDROXYBENZYL]-N,N-DIETHYLBENZAMIDE
4-[(AR*)-α-((2S*,5R*)-4-ALLYL-2,5-DIMETHYL-1-PIPERAZINYL)-3-HYDROXYBENZYL]-N,N-DIETHYLBENZAMIDE
| 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) | 3.93 | 10.6 | -40.59 | 2 | 5 | 1 | 48 | 436.62 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 10.06 | -41.74 | 2 | 5 | 1 | 48 | 436.62 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 8.43 | -9.65 | 1 | 5 | 0 | 47 | 435.612 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 3400 | 0.24 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 260 | 0.29 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 150 | 0.30 | Functional ≤ 10μM |
| Z50594-6-O | Mus Musculus (cluster #6 Of 9), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 0.31 | 0.42 | Binding ≤ 1μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 0.31 | 0.42 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.12 | 0.43 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 130 | 0.30 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 15 | 0.34 | Binding ≤ 1μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 2.1 | 0.38 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.12 | 0.43 | Binding ≤ 10μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 0.31 | 0.42 | Binding ≤ 10μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 0.31 | 0.42 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 130 | 0.30 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 2.1 | 0.38 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 15 | 0.34 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 150 | 0.30 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 0.2 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.