CHEMBL5028304


SMILES CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1
InChIKey NEOMSSISKDUIHW-PGCXCKJESA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 9
Rotatable bonds 20
Molecular weight (Da) 858.5

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
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.57 8.57 8.57 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.82 9.82 9.82 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database