| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 19 | No |
Popular Name: Falcarindiol Falcarindiol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 55297-87-5 , [55297-87-5]
| 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) | 5.08 | -0.36 | -5.49 | 2 | 2 | 0 | 40 | 260.377 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-4-E | Dopamine D1 Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 192 | 0.49 | Binding ≤ 10μM |
| OPRD-2-E | Delta Opioid Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1096 | 0.44 | Binding ≤ 10μM |
| OPRK-6-E | Kappa Opioid Receptor (cluster #6 Of 6), Eukaryotic | Eukaryotes | 2515 | 0.41 | Binding ≤ 10μM |
| OPRM-2-E | Mu-type Opioid Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1125 | 0.44 | Binding ≤ 10μM |
| Z50594-7-O | Mus Musculus (cluster #7 Of 9), Other | Other | 4400 | 0.39 | Functional ≤ 10μM |
| Z80156-5-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #5 Of 12), Other | Other | 8900 | 0.37 | Functional ≤ 10μM |
| Z80211-3-O | LoVo (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other | Other | 4300 | 0.40 | Functional ≤ 10μM |
| Z80418-3-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other | Other | 1540 | 0.43 | Functional ≤ 10μM |
| Z80418-2-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 2), Other | Other | 3770 | 0.40 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 192 | 0.49 | Binding ≤ 1μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 1096 | 0.44 | Binding ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 192 | 0.49 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 2515 | 0.41 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 1125 | 0.44 | Binding ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 8900 | 0.37 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 4300 | 0.40 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 4400 | 0.39 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 1280 | 0.43 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 3770 | 0.40 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
