CHEMBL5028161
SMILES | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 |
InChIKey | HSNCPTOLETUYMJ-OIFPXGRLSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 12 |
Rotatable bonds | 19 |
Molecular weight (Da) | 832.4 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 4.7 | 4.7 | 4.7 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.9 | 4.9 | 4.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |