|
Analogs
-
36756462
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
6296 |
0.29 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
6296 |
0.29 |
Binding ≤ 10μM
|
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)
|
4.40 |
12.13 |
-9.28 |
0 |
4 |
0 |
41 |
328.371 |
3 |
↓
|
|
|
Analogs
-
36756462
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
6296 |
0.29 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
6296 |
0.29 |
Binding ≤ 10μM
|
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)
|
4.40 |
12.19 |
-9.08 |
0 |
4 |
0 |
41 |
328.371 |
3 |
↓
|
|
|
Analogs
-
36756455
-
-
36756456
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
6661 |
0.28 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
6661 |
0.28 |
Binding ≤ 10μM
|
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)
|
5.07 |
12.69 |
-8.86 |
0 |
4 |
0 |
41 |
362.816 |
3 |
↓
|
|
|
Analogs
-
36756455
-
-
36756456
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
6661 |
0.28 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
6661 |
0.28 |
Binding ≤ 10μM
|
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)
|
5.07 |
12.71 |
-8.79 |
0 |
4 |
0 |
41 |
362.816 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
4027 |
0.29 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
4027 |
0.29 |
Binding ≤ 10μM
|
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)
|
5.21 |
12.79 |
-8.83 |
0 |
4 |
0 |
41 |
407.267 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
4027 |
0.29 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
4027 |
0.29 |
Binding ≤ 10μM
|
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)
|
5.21 |
12.82 |
-8.74 |
0 |
4 |
0 |
41 |
407.267 |
3 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
243 |
0.34 |
Binding ≤ 10μM
|
CNR1-2-E |
Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
195 |
0.35 |
Functional ≤ 10μM
|
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)
|
6.02 |
13.43 |
-6.53 |
0 |
4 |
0 |
41 |
486.163 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
243 |
0.34 |
Binding ≤ 10μM
|
CNR1-2-E |
Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
195 |
0.35 |
Functional ≤ 10μM
|
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)
|
6.02 |
13.42 |
-6.54 |
0 |
4 |
0 |
41 |
486.163 |
3 |
↓
|
|
|
|
|
|
|
Analogs
-
36756469
-
-
36756470
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
1877 |
0.29 |
Binding ≤ 10μM
|
CNR1-2-E |
Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1115 |
0.30 |
Functional ≤ 10μM
|
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)
|
6.43 |
13.7 |
-7.21 |
0 |
4 |
0 |
41 |
431.706 |
3 |
↓
|
|
|
Analogs
-
36756469
-
-
36756470
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
1877 |
0.29 |
Binding ≤ 10μM
|
CNR1-2-E |
Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1115 |
0.30 |
Functional ≤ 10μM
|
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)
|
6.43 |
13.76 |
-7 |
0 |
4 |
0 |
41 |
431.706 |
3 |
↓
|
|
|
Analogs
-
36756447
-
-
36756448
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
3312 |
0.27 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
3312 |
0.27 |
Binding ≤ 10μM
|
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)
|
6.38 |
13.68 |
-9.4 |
0 |
4 |
0 |
41 |
431.706 |
3 |
↓
|
|
|
Analogs
-
36756447
-
-
36756448
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
3312 |
0.27 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
3312 |
0.27 |
Binding ≤ 10μM
|
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)
|
6.38 |
13.74 |
-7.02 |
0 |
4 |
0 |
41 |
431.706 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
905 |
0.30 |
Binding ≤ 10μM
|
CNR1-2-E |
Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1234 |
0.30 |
Functional ≤ 10μM
|
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)
|
6.56 |
13.8 |
-7.13 |
0 |
4 |
0 |
41 |
476.157 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-1-E |
Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
905 |
0.30 |
Binding ≤ 10μM
|
CNR1-2-E |
Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1234 |
0.30 |
Functional ≤ 10μM
|
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)
|
6.56 |
13.87 |
-6.94 |
0 |
4 |
0 |
41 |
476.157 |
3 |
↓
|
|