| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | Yes |
Popular Name: DNC003577 DNC003577
Find On: PubMed — Wikipedia — Google
CAS Numbers: 78263-90-8 , 845861-49-6 , N/A
1H-Indol-5-ol,3-(2-aminoethyl)-2-methyl-
2-Me 5-HT; 2-Methyl-5-hydroxytryptamine; 2-methyl-5-HT; 2-methylserotonin
2-Me 5-HT; 2-Methyl-5-hydroxytryptamine; C13665
2-Methylserotonin hydrochloride
3-(2-Aminoethyl)-2-methyl-1H-indol-5-ol hydrochloride
| 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) | 0.79 | 0.98 | -48.14 | 5 | 3 | 1 | 64 | 191.254 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | EP1666040 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1200 | 0.59 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 520 | 0.63 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1220 | 0.59 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 650 | 0.62 | Binding ≤ 10μM |
| 5HT3A-1-E | Serotonin 3a (5-HT3a) Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1200 | 0.59 | Binding ≤ 10μM |
| 5HT3B-1-E | Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 779 | 0.61 | Binding ≤ 10μM |
| 5HT6R-1-E | Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 46 | 0.73 | Binding ≤ 10μM |
| 5HT7R-2-E | Serotonin 7 (5-HT7) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1258 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 520 | 0.63 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 650 | 0.62 | Binding ≤ 1μM |
| 5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 779 | 0.61 | Binding ≤ 1μM |
| 5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 779 | 0.61 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 400 | 0.64 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 1200 | 0.59 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 520 | 0.63 | Binding ≤ 10μM |
| 5HT1D_HUMAN | P28221 | Serotonin 1d (5-HT1d) Receptor, Human | 1220 | 0.59 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 650 | 0.62 | Binding ≤ 10μM |
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 1200 | 0.59 | Binding ≤ 10μM |
| 5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 1217 | 0.59 | Binding ≤ 10μM |
| 5HT3A_MOUSE | P23979 | Serotonin 3a (5-HT3a) Receptor, Mouse | 1430 | 0.58 | Binding ≤ 10μM |
| 5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 1217 | 0.59 | Binding ≤ 10μM |
| 5HT3B_MOUSE | Q9JHJ5 | Serotonin 3b (5-HT3b) Receptor, Mouse | 1430 | 0.58 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 400 | 0.64 | Binding ≤ 10μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 1258 | 0.59 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Ligand-gated ion channel transport | |
| Serotonin receptors |
