In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2009 | 14 | Yes |
Popular Name: 2-Chloro-6-(4-methylpiperazino)pyridine 2-Chloro-6-(4-methylpiperazino)p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 153976-26-2 , N/A , [153976-26-2]
1-(6-Chloro-2-pyridinyl)-4-methylpiperazine
1-(6-Chloropyridin-2-yl)-4-methylpiperazine
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) | 2.05 | 5.51 | -38.39 | 1 | 3 | 1 | 21 | 212.704 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 3.05 | -5.64 | 0 | 3 | 0 | 19 | 211.696 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT3A-2-E | Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic | Eukaryotes | 38 | 0.74 | Binding ≤ 10μM |
5HT3B-2-E | Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 38 | 0.74 | Binding ≤ 10μM |
5HT3C-2-E | Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 38 | 0.74 | Binding ≤ 10μM |
5HT3D-2-E | Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 38 | 0.74 | Binding ≤ 10μM |
5HT3E-2-E | Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 38 | 0.74 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 38 | 0.74 | Binding ≤ 1μM |
5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 38 | 0.74 | Binding ≤ 1μM |
5HT3B_HUMAN | O95264 | Serotonin 3b (5-HT3b) Receptor, Human | 38 | 0.74 | Binding ≤ 1μM |
5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 38 | 0.74 | Binding ≤ 1μM |
5HT3C_HUMAN | Q8WXA8 | Serotonin 3c (5-HT3c) Receptor, Human | 38 | 0.74 | Binding ≤ 1μM |
5HT3D_HUMAN | Q70Z44 | Serotonin 3d (5-HT3d) Receptor, Human | 38 | 0.74 | Binding ≤ 1μM |
5HT3E_HUMAN | A5X5Y0 | Serotonin 3e (5-HT3e) Receptor, Human | 38 | 0.74 | Binding ≤ 1μM |
5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 38 | 0.74 | Binding ≤ 10μM |
5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 38 | 0.74 | Binding ≤ 10μM |
5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 38 | 0.74 | Binding ≤ 10μM |
5HT3B_HUMAN | O95264 | Serotonin 3b (5-HT3b) Receptor, Human | 38 | 0.74 | Binding ≤ 10μM |
5HT3C_HUMAN | Q8WXA8 | Serotonin 3c (5-HT3c) Receptor, Human | 38 | 0.74 | Binding ≤ 10μM |
5HT3D_HUMAN | Q70Z44 | Serotonin 3d (5-HT3d) Receptor, Human | 38 | 0.74 | Binding ≤ 10μM |
5HT3E_HUMAN | A5X5Y0 | Serotonin 3e (5-HT3e) Receptor, Human | 38 | 0.74 | Binding ≤ 10μM |
Description | Species |
---|---|
Ligand-gated ion channel transport |