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
Physiological/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-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 9.66 9.7 9.74 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 6.89 8.16 8.87 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.4 5.4 5.4 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