chroman 28


SMILES O=C(C[C@H](c1ccccc1)NS(=O)(=O)c1ccc2c(c1)cccc2)N[C@@H]1CCOc2c1ccc(c2)CN1CCCCC1
InChIKey IQPWKAIEQBOLPJ-ROJLCIKYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 583.3

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
B1 BKRB1 Human Bradykinin A pKi 9.11 9.13 9.15 ChEMBL
B1 BKRB1 Human Bradykinin A pKd 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 8.5 8.5 8.5 Guide to Pharmacology
B1 BKRB1 Human Bradykinin A pIC50 8.47 8.78 9.4 ChEMBL
B1 BKRB1 Rat Bradykinin A pIC50 8.4 8.4 8.4 ChEMBL
B1 BKRB1 Rat Bradykinin A pIC50 8.3 8.4 8.5 Guide to Pharmacology
B1 BKRB1 Rabbit Bradykinin A pIC50 7.77 7.77 7.77 ChEMBL