Physical Representations
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)
|
1.57 |
10.16 |
-41.33 |
1 |
7 |
1 |
82 |
396.515 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.57 |
7.79 |
-14.72 |
0 |
7 |
0 |
81 |
395.507 |
5 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DRD1-2-E |
Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
540 |
0.30 |
Binding ≤ 10μM
|
DRD3-1-E |
Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
540 |
0.30 |
Binding ≤ 10μM
|
DRD4-4-E |
Dopamine D4 Receptor (cluster #4 Of 4), Eukaryotic |
Eukaryotes |
540 |
0.30 |
Binding ≤ 10μM
|
DRD5-1-E |
Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
540 |
0.30 |
Binding ≤ 10μM
|
DRD2-6-E |
Dopamine D2 Receptor (cluster #6 Of 24), Eukaryotic |
Eukaryotes |
540 |
0.30 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DRD1_RAT |
P18901
|
Dopamine D1 Receptor, Rat |
540 |
0.30 |
Binding ≤ 1μM
|
DRD2_RAT |
P61169
|
Dopamine D2 Receptor, Rat |
540 |
0.30 |
Binding ≤ 1μM
|
DRD3_RAT |
P19020
|
Dopamine D3 Receptor, Rat |
540 |
0.30 |
Binding ≤ 1μM
|
DRD4_RAT |
P30729
|
Dopamine D4 Receptor, Rat |
540 |
0.30 |
Binding ≤ 1μM
|
DRD5_RAT |
P25115
|
Dopamine D5 Receptor, Rat |
540 |
0.30 |
Binding ≤ 1μM
|
DRD1_RAT |
P18901
|
Dopamine D1 Receptor, Rat |
540 |
0.30 |
Binding ≤ 10μM
|
DRD2_RAT |
P61169
|
Dopamine D2 Receptor, Rat |
540 |
0.30 |
Binding ≤ 10μM
|
DRD3_RAT |
P19020
|
Dopamine D3 Receptor, Rat |
540 |
0.30 |
Binding ≤ 10μM
|
DRD4_RAT |
P30729
|
Dopamine D4 Receptor, Rat |
540 |
0.30 |
Binding ≤ 10μM
|
DRD5_RAT |
P25115
|
Dopamine D5 Receptor, Rat |
540 |
0.30 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Dopamine receptors |
|
G alpha (i) signalling events |
|
No pre-computed analogs available. Try a structural similarity search.