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)
|
6.28 |
10.22 |
-11.61 |
2 |
6 |
0 |
80 |
541.866 |
4 |
↓
|
ChEMBL Target Annotations
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
1 |
0.35 |
Binding ≤ 1μM
|
CNR1_RAT |
P20272
|
Cannabinoid CB1 Receptor, Rat |
0.7 |
0.36 |
Binding ≤ 1μM
|
KCNH2_HUMAN |
Q12809
|
HERG, Human |
1000 |
0.23 |
Binding ≤ 1μM
|
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
1 |
0.35 |
Binding ≤ 10μM
|
CNR1_RAT |
P20272
|
Cannabinoid CB1 Receptor, Rat |
0.7 |
0.36 |
Binding ≤ 10μM
|
CNR2_RAT |
Q9QZN9
|
Cannabinoid CB2 Receptor, Rat |
1500 |
0.23 |
Binding ≤ 10μM
|
CNR2_HUMAN |
P34972
|
Cannabinoid CB2 Receptor, Human |
1500 |
0.23 |
Binding ≤ 10μM
|
KCNH2_HUMAN |
Q12809
|
HERG, Human |
1000 |
0.23 |
Binding ≤ 10μM
|
NR1I2_HUMAN |
O75469
|
Pregnane X Receptor, Human |
5000 |
0.21 |
Binding ≤ 10μM
|
CNR1_HUMAN |
P21554
|
Cannabinoid CB1 Receptor, Human |
5.8 |
0.32 |
Functional ≤ 10μM
|
CP2D6_HUMAN |
P10635
|
Cytochrome P450 2D6, Human |
6000 |
0.20 |
ADME/T ≤ 10μM
|
CP3A4_HUMAN |
P08684
|
Cytochrome P450 3A4, Human |
3300 |
0.21 |
ADME/T ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Aflatoxin activation and detoxification |
|
Class A/1 (Rhodopsin-like receptors) |
|
CYP2E1 reactions |
|
Fatty acids |
|
G alpha (i) signalling events |
|
Miscellaneous substrates |
|
Voltage gated Potassium channels |
|
Xenobiotics |
|
No pre-computed analogs available. Try a structural similarity search.