CHEMBL4595575


SMILES CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1
InChIKey JNBDSWBJCGQGPV-ACHIHNKUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 9
Rotatable bonds 21
Molecular weight (Da) 789.5

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.44 6.44 6.44 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.76 7.76 7.76 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.11 6.11 6.11 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.83 8.83 8.83 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database