NECA


SMILES CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InChIKey JADDQZYHOWSFJD-FLNNQWSLSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 308.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 2YDV 5G53 6GDG
Ligand site mutations A1 A2A A2B A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 Guide to Pharmacology
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.71 8.71 8.71 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 7.92 7.95 7.97 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.82 7.82 7.82 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database