CCR5 antagonist 34 [1803]



CCR5 antagonist 34


SMILES Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1
InChIKey KESMRFWRGXZDEF-KIHHCIJBSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Log P 6.012
Molecular weight (Da) 519.3
Stereochemistry info full

Database connections

Structure pdb 6AKY
GPCRdb related ligands

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

CCR5 antagonist 34


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 6AKY

Compound is not listed as a drug.