ABT-299


SMILES CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-]
InChIKey NKIONDJYXPXFFL-JSSVAETHSA-M

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 618.2

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
CCR4 CCR4 Human Chemokine A pKd 6.2 6.2 6.2 ChEMBL
CCR4 CCR4 Human Chemokine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR4 CCR4 Human Chemokine A pIC50 7.83 7.83 7.83 Guide to Pharmacology
CCR5 CCR5 Human Chemokine A pIC50 5.2 5.2 5.2 Guide to Pharmacology
CCR4 CCR4 Human Chemokine A pIC50 7.4 7.62 7.83 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 5.2 5.2 5.2 ChEMBL