| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 22 | Yes |
Popular Name: FLB457Hydrobromide FLB457Hydrobromide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 107188-74-9 , 107188-92-1
(-)-(S)-5-bromo-2,3-dimethoxy-n-[(1-ethyl-2-pyrrolidinyl)methyl]-benzamide
(S)-5-Bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2,3-dimethoxybenzamide
| 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) | 3.06 | -0.48 | -41.28 | 2 | 5 | 1 | 52 | 372.283 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 1 | 0.57 | Binding ≤ 10μM |
| DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 145 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 0.1 | 0.64 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 0.1 | 0.64 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 0.22 | 0.61 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 0.1 | 0.64 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 0.1 | 0.64 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 0.22 | 0.61 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
