CHEMBL4452249


SMILES CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21
InChIKey HXUGFTSAFCNATL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 40
Molecular weight (Da) 1311.4

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
β2 ADRB2 Human Adrenoceptors A pKi 7.58 7.58 7.58 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.58 6.58 6.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pIC50 7.02 7.02 7.02 ChEMBL