SRA880


SMILES COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
InChIKey INULNSAIIZKOQE-YOSAUDMPSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 464.2

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-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKd 9.52 9.52 9.52 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.59 8.96 9.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.49 9.49 9.49 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TSH TSHR Human Glycoprotein hormone A Potency 5.4 5.4 5.4 ChEMBL