VPC44116
| SMILES | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N |
| InChIKey | FMLHSOGKNHADEE-QGZVFWFLSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 370.2 |
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 | 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 |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 8.7 | 8.7 | 8.7 | 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 |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.82 | 7.05 | 9.11 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.69 | 4.69 | 4.69 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Mouse | Acetylcholine (muscarinic) | A | pEC50 | 6.16 | 6.16 | 6.16 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 8.0 | 8.0 | 8.0 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.13 | 5.13 | 5.13 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.2 | 5.63 | 6.5 | ChEMBL |