CHEMBL5028196


SMILES CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1
InChIKey NGKTYFBTWFLIRS-BHQPUTRGSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 9
Rotatable bonds 21
Molecular weight (Da) 873.5

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 6.06 6.06 6.06 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.91 7.91 7.91 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.94 5.94 5.94 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.5 9.5 9.5 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.79 7.79 7.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database