Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 9th, 2004 |
10 |
No
|
Other Names:
1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid methyl ester hydrochloride; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester, hydrochloride; Guvacine methyl ester hydrochloride; Guvacoline hydrochloride; LS-131041; Nicotinic acid, 1,2,5,6-tetrahy
495-19-2; C16821; Guvacoline
Guvacoline, hydrobromide
Methyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride
MFCD02683335
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MOL2
SDF
SMILES
Flexibase
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)
|
0.20 |
-0.02 |
-45.83 |
2 |
3 |
1 |
42 |
142.178 |
2 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
ACM3-4-E |
Muscarinic Acetylcholine Receptor M3 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
300 |
0.91 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Acetylcholine regulates insulin secretion |
|
|
G alpha (q) signalling events |
|
|
Muscarinic acetylcholine receptors |
|
No pre-computed analogs available. Try a structural similarity search.
