3-isobutyl-8-pyrrolidinoxanthine
| SMILES | CC(Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)N1CCCC1)C |
| InChIKey | KHQOTPZSYMSVHB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 277.2 |
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 |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.2 | 7.35 | 7.5 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.2 | 7.25 | 7.3 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.8 | 8.0 | 8.2 | Guide to Pharmacology |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.6 | 6.7 | 6.8 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.3 | 8.39 | 8.49 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.98 | 7.29 | 7.6 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.9 | 5.99 | 6.08 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.1 | 8.14 | 8.19 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.0 | 7.1 | 7.2 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 8.03 | 8.27 | 8.5 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.3 | 8.34 | 8.37 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.3 | 7.42 | 7.54 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.54 | 7.54 | 7.54 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.37 | 8.37 | 8.37 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.2 | 7.2 | 7.2 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.19 | 8.19 | 8.19 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.08 | 6.08 | 6.08 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.1 | 6.95 | 7.8 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |