| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 24 | Yes |
Popular Name: METITEPINE MALEATE METITEPINE MALEATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 19728-88-2; 20229-30-5 , 20229-30-5 , 74611-28-2
| 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) | 4.14 | 11.53 | -38.49 | 1 | 2 | 1 | 8 | 357.568 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 9.16 | -4.74 | 0 | 2 | 0 | 6 | 356.56 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 10.63 | -33.93 | 1 | 2 | 1 | 8 | 357.568 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | 5-HT1 Serotonin receptor antagonist; blocks serotonin autoreceptors | SMDC MicroSource |
| therap | 5HT1&2 receptor antagonist | MicroSource World Drugs |
| 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 | 2 | 0.51 | Binding ≤ 10μM |
| 5HT5A-1-E | Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.41 | Binding ≤ 10μM |
| 5HT6R-1-E | Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.51 | Binding ≤ 10μM |
| 5HT7R-1-E | Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.49 | Binding ≤ 10μM |
| 5HT6R-1-E | 5-hydroxytryptamine Receptor 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 127 | 0.40 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 2.2 | 0.51 | Binding ≤ 1μM |
| 5HT5A_HUMAN | P47898 | Serotonin 5a (5-HT5a) Receptor, Human | 1 | 0.53 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 0.4 | 0.55 | Binding ≤ 1μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 0.6 | 0.54 | Binding ≤ 1μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 4 | 0.49 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 2.2 | 0.51 | Binding ≤ 10μM |
| 5HT5A_HUMAN | P47898 | Serotonin 5a (5-HT5a) Receptor, Human | 1 | 0.53 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 0.4 | 0.55 | Binding ≤ 10μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 0.6 | 0.54 | Binding ≤ 10μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 4 | 0.49 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 5011.87234 | 0.31 | Functional ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 127 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Serotonin receptors |
