In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 20 | Yes |
Popular Name: 2,3-dichloro-N-isobutyl-N-[(3R)-pyrrolidin-3-yl]benzamide 2,3-dichloro-N-isobutyl-N-[(3R)-…
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) | 3.19 | 7.94 | -39.04 | 2 | 3 | 1 | 37 | 316.252 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A2-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 169 | 0.47 | Binding ≤ 10μM |
SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3090 | 0.39 | Binding ≤ 10μM |
SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 13 | 0.55 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 169 | 0.47 | Binding ≤ 1μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 13 | 0.55 | Binding ≤ 1μM |
SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 3090 | 0.39 | Binding ≤ 10μM |
SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 169 | 0.47 | Binding ≤ 10μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 13 | 0.55 | Binding ≤ 10μM |
Description | Species |
---|---|
Dopamine clearance from the synaptic cleft | |
Na+/Cl- dependent neurotransmitter transporters |