IRINOTECAN


SMILES CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
InChIKey UWKQSNNFCGGAFS-XIFFEERXSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 586.3

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
α2C ADA2C Human Adrenoceptors A pKi 6.34 6.34 6.34 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.66 6.66 6.66 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pIC50 5.5 5.5 5.5 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.81 5.81 5.81 ChEMBL