| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 24 | Yes |
Popular Name: BRD-A94675310-003-01-2 BRD-A94675310-003-01-2
| 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 | 12.68 | -41.47 | 1 | 3 | 1 | 25 | 323.46 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 63 | 0.42 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 50 | 0.43 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 63 | 0.42 | Binding ≤ 10μM |
| CP2D6-3-E | Cytochrome P450 2D6 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 46 | 0.43 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 63 | 0.42 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 5.8 | 0.48 | Binding ≤ 1μM |
| OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 1.4 | 0.52 | Binding ≤ 1μM |
| OPRM_CAVPO | P97266 | Mu Opioid Receptor, Guinea Pig | 63 | 0.42 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 63 | 0.42 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 5.8 | 0.48 | Binding ≤ 10μM |
| OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 1.4 | 0.52 | Binding ≤ 10μM |
| OPRM_CAVPO | P97266 | Mu Opioid Receptor, Guinea Pig | 63 | 0.42 | Binding ≤ 10μM |
| CP2D6_HUMAN | P10635 | Cytochrome P450 2D6, Human | 46 | 0.43 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Fatty acids | |
| G alpha (i) signalling events | |
| Miscellaneous substrates | |
| Peptide ligand-binding receptors | |
| Xenobiotics |
