OXITRIPTAN
SMILES | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O |
InChIKey | LDCYZAJDBXYCGN-VIFPVBQESA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 220.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.67 | 8.67 | 8.67 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.74 | 8.89 | 9.04 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pEC50 | 8.01 | 8.01 | 8.01 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.35 | 5.35 | 5.35 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 8.89 | 8.95 | 9.0 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.89 | 8.16 | 8.87 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.3 | 5.3 | 5.3 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.16 | 8.16 | 8.16 | Drug Central |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 8.05 | 8.05 | 8.05 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 8.01 | 8.01 | 8.01 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 9.66 | 9.7 | 9.74 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.4 | 5.4 | 5.4 | ChEMBL |