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)
|
3.20 |
9.99 |
-41.63 |
1 |
6 |
1 |
51 |
393.54 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
3.20 |
7.64 |
-9.21 |
0 |
6 |
0 |
50 |
392.532 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ADA1A-1-E |
Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
ADA1B-1-E |
Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
ADA1D-1-E |
Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.45 |
Binding ≤ 10μM
|
DRD2-6-E |
Dopamine D2 Receptor (cluster #6 Of 24), Eukaryotic |
Eukaryotes |
2 |
0.43 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ADA1A_BOVIN |
P18130
|
Alpha-1a Adrenergic Receptor, Bovin |
0.17 |
0.49 |
Binding ≤ 1μM
|
ADA1B_MESAU |
P18841
|
Alpha-1b Adrenergic Receptor, Mesau |
0.35 |
0.47 |
Binding ≤ 1μM
|
ADA1B_RAT |
P15823
|
Alpha-1b Adrenergic Receptor, Rat |
0.15 |
0.49 |
Binding ≤ 1μM
|
ADA1D_RAT |
P23944
|
Alpha-1d Adrenergic Receptor, Rat |
1 |
0.45 |
Binding ≤ 1μM
|
DRD2_HUMAN |
P14416
|
Dopamine D2 Receptor, Human |
0.44 |
0.47 |
Binding ≤ 1μM
|
ADA1A_BOVIN |
P18130
|
Alpha-1a Adrenergic Receptor, Bovin |
0.17 |
0.49 |
Binding ≤ 10μM
|
ADA1B_MESAU |
P18841
|
Alpha-1b Adrenergic Receptor, Mesau |
0.35 |
0.47 |
Binding ≤ 10μM
|
ADA1B_RAT |
P15823
|
Alpha-1b Adrenergic Receptor, Rat |
0.15 |
0.49 |
Binding ≤ 10μM
|
ADA1D_RAT |
P23944
|
Alpha-1d Adrenergic Receptor, Rat |
1 |
0.45 |
Binding ≤ 10μM
|
DRD2_HUMAN |
P14416
|
Dopamine D2 Receptor, Human |
0.44 |
0.47 |
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.