ONO-AE3-208


SMILES N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O
InChIKey MTDIMKNAJUQTIO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 404.2

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 6.4 6.7 7.0 Guide to Pharmacology
B2 BKRB2 Human Bradykinin A pKi 10.19 10.19 10.19 Guide to Pharmacology
B2 BKRB2 Mouse Bradykinin A pKi 9.6 9.6 9.6 Guide to Pharmacology
B1 BKRB1 Rat Bradykinin A pKi 6.1 6.25 6.4 Guide to Pharmacology
B2 BKRB2 Rat Bradykinin A pKi 10.0 10.15 10.3 Guide to Pharmacology
B2 BKRB2 Rat Bradykinin A pKi 10.11 10.11 10.11 ChEMBL
B2 BKRB2 Rat Bradykinin A pKd 9.5 9.5 9.5 ChEMBL
B2 BKRB2 Guinea pig Bradykinin A pKi 9.96 9.96 9.96 ChEMBL
B2 BKRB2 Human Bradykinin A pKi 9.74 10.19 10.6 ChEMBL
B2 BKRB2 Human Bradykinin A pKd 9.04 9.29 9.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Human Bradykinin A pA2 8.4 8.4 8.4 Guide to Pharmacology
B2 BKRB2 Human Bradykinin A pIC50 8.0 8.7 9.4 Guide to Pharmacology
B2 BKRB2 Guinea pig Bradykinin A pIC50 8.27 9.48 10.05 ChEMBL
B2 BKRB2 Human Bradykinin A pIC50 8.48 8.89 9.31 ChEMBL