| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 9 | No |
Popular Name: 1,2,5,6-Tetrahydropyridine-3-carboxylic acid hydrochloride 1,2,5,6-Tetrahydropyridine-3-car…
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CAS Numbers: 498-96-4 , 6027-91-4 , [498-96-4] , [6027-91-4]
1,2,5,6-tetrahydro-3-pyridinecarboxylic acid hydrochloride
1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid hydrochloride
1,2,5,6-tetrahydro-pyridine-3-carboxylicacidhydrochloride
| 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) | -0.42 | 2.83 | -58.8 | 2 | 3 | 0 | 57 | 127.143 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 316° (dec) | Matrix Scientific |
| Therapy | GABA uptake inhibitor | SMDC MicroSource |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A1-1-E | GABA Transporter 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.86 | Binding ≤ 10μM |
| Z50597-4-O | Rattus Norvegicus (cluster #4 Of 5), Other | Other | 7300 | 0.80 | Binding ≤ 10μM |
| Z50597-6-O | Rattus Norvegicus (cluster #6 Of 12), Other | Other | 4920 | 0.83 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A1_RAT | P23978 | GABA Transporter 1, Rat | 1680 | 0.90 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 7300 | 0.80 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 4920 | 0.83 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Na+/Cl- dependent neurotransmitter transporters | |
| Reuptake of GABA |
No pre-computed analogs available. Try a structural similarity search.