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 |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.23 | 7.23 | 7.23 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 6.92 | 6.92 | 6.92 | Guide to Pharmacology |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.28 | 5.85 | 6.42 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 8.16 | 8.16 | 8.16 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.28 | 5.85 | 6.42 | ChEMBL |
| GAL3 | GALR3 | Human | Galanin | A | pIC50 | 5.13 | 5.13 | 5.13 | ChEMBL |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 6.16 | 6.16 | 6.16 | ChEMBL |