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 |