pilocarpine
| SMILES | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C |
| InChIKey | QCHFTSOMWOSFHM-WPRPVWTQSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 208.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.01 | 5.01 | 5.01 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKd | 5.0 | 5.0 | 5.0 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 4.99 | 4.99 | 4.99 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.1 | 5.14 | 5.18 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 5.57 | 5.57 | 5.57 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.92 | 4.92 | 4.92 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 4.9 | 4.9 | 4.9 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
| M1 | ACM1 | Fruit fly | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 4.9 | 4.9 | 4.9 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Mouse | Acetylcholine (muscarinic) | A | pEC50 | 5.16 | 5.16 | 5.16 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.06 | 5.06 | 5.06 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.35 | 5.68 | 6.02 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pEC50 | 4.2 | 4.2 | 4.2 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.06 | 6.3 | 7.76 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pEC50 | 8.16 | 8.16 | 8.16 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pEC50 | 8.16 | 8.16 | 8.16 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| M1 | ACM1 | Mouse | Acetylcholine (muscarinic) | A | pEC50 | 8.29 | 8.29 | 8.29 | Drug Central |