| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 17 | No |
Popular Name: 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6,N6-dipropyl- 2,6-Benzothiazolediamine, 4,5,6,…
Find On: PubMed — Wikipedia — Google
CAS Number: 104617-76-7
| 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) | 3.22 | 7.02 | -38.65 | 3 | 3 | 1 | 43 | 254.423 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 7.25 | -84.19 | 4 | 3 | 2 | 45 | 255.431 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.72 | Binding ≤ 10μM |
| DRD2-22-E | Dopamine D2 Receptor (cluster #22 Of 24), Eukaryotic | Eukaryotes | 57 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 462 | 0.52 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1.9 | 0.72 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 462 | 0.52 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1.9 | 0.72 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
