CCR5 antagonist 34


SMILES O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C
InChIKey KESMRFWRGXZDEF-KIHHCIJBSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 519.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6AKY

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Bovine Adrenoceptors A pKd 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database