CHEMBL5028571


SMILES CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1
InChIKey XBBANBCTQDQYBC-VUVDHCLXSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 9
Rotatable bonds 23
Molecular weight (Da) 901.6

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.28 6.28 6.28 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.96 7.96 7.96 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.92 5.92 5.92 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.48 9.48 9.48 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database