NAD


SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)[O-])O[C@H]([C@@H]1O)[n+]1cccc(c1)C(=O)N
InChIKey BAWFJGJZGIEFAR-NNYOXOHSSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 11
Molecular weight (Da) 663.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 6.2 6.55 6.9 Guide to Pharmacology
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 6.83 7.02 7.16 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.06 6.06 6.06 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.86 5.86 5.86 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.72 6.72 6.72 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.68 6.68 6.68 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 8.15 8.15 8.15 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pIC50 6.05 6.5 6.95 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.72 5.72 5.72 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.43 5.43 5.43 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.53 6.53 6.53 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.4 6.4 6.4 ChEMBL