| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2009 | 29 | Yes |
Popular Name: JWH 200 JWH 200
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103610-04-4 , 1651833-51-0 , [103610-04-4]
JWH 200-d5 (exempt preparation)
[1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone
[1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone, 99%+
[1-{2-(4-Morpholinyl)ethyl}-1H-indol-3-yl]-1-naphthalenylmethanone
| 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) | 4.65 | 11.33 | -13.19 | 0 | 4 | 0 | 34 | 384.479 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY5-1-E | Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic | Eukaryotes | 275 | 0.32 | Binding ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 8 | 0.39 | Binding ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.39 | Binding ≤ 10μM |
| PTGDS-1-E | Prostaglandin-H2 D-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.40 | Binding ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 6 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 275 | 0.32 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 46 | 0.35 | Binding ≤ 1μM |
| CNR2_RAT | Q9QZN9 | Cannabinoid CB2 Receptor, Rat | 7.8 | 0.39 | Binding ≤ 1μM |
| PTGDS_MOUSE | O09114 | Prostaglandin-H2 D-isomerase, Mouse | 6 | 0.40 | Binding ≤ 1μM |
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 275 | 0.32 | Binding ≤ 10μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 46 | 0.35 | Binding ≤ 10μM |
| CNR2_RAT | Q9QZN9 | Cannabinoid CB2 Receptor, Rat | 7.8 | 0.39 | Binding ≤ 10μM |
| PTGDS_MOUSE | O09114 | Prostaglandin-H2 D-isomerase, Mouse | 6 | 0.40 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 6.3 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
