Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 6th, 2010 |
47 |
No
|
Popular Name:
(1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl decanoate; Decanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-59341; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-decanoyloxymethylpiperazine
(1,4-Bis(3,4,5-trimethoxybenzoyl…
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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)
|
4.63 |
14.89 |
-20.99 |
0 |
12 |
0 |
122 |
658.789 |
19 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PTAFR-3-E |
Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
2820 |
0.17 |
Functional ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PTAFR_HUMAN |
P25105
|
Platelet Activating Factor Receptor, Human |
2820 |
0.17 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Class A/1 (Rhodopsin-like receptors) |
|
|
G alpha (q) signalling events |
|
|
Interferon gamma signaling |
|
No pre-computed analogs available. Try a structural similarity search.
