| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 20 | Yes |
Popular Name: SB200646hydrochloride SB200646hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: 143797-63-1
| 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) | 2.34 | 5.71 | -14.48 | 2 | 5 | 0 | 59 | 266.304 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 6.17 | -42.44 | 3 | 5 | 1 | 60 | 267.312 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6310 | 0.36 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 138 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 138.038426 | 0.48 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 6309.57344 | 0.36 | Binding ≤ 10μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 138.038426 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.