compound 39 [PMID: 34982553]
SMILES | N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C\C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1c2ccccc2ccc1 |
InChIKey | VXVNSDXGZQXERO-NXDMJTDOSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 14 |
Rotatable bonds | 21 |
Molecular weight (Da) | 1019.6 |
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 |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.37 | 6.86 | 7.64 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |