CHEMBL4597498


SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1
InChIKey ABRYVCKEQWCHSC-UEQQSRGXSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 9
Rotatable bonds 24
Molecular weight (Da) 915.6

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 6.4 6.46 6.53 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.68 8.69 8.7 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.96 6.98 7.0 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 10.0 10.12 10.2 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.6 8.62 8.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 7.98 8.82 9.72 ChEMBL