CHEMBL4594890


SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1
InChIKey ROCCLUYSPSAIDK-ZPGRZCPFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 19
Molecular weight (Da) 801.5

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.53 6.53 6.53 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.92 8.92 8.92 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.21 7.21 7.21 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.62 9.62 9.62 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.62 8.62 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database