rugocrixan


SMILES C[C@@H](C1=CC=CC=C1)SC2=NC3=C(C(=N2)N[C@H](CC(C)C)CO)SC(=N3)N
InChIKey ZMQSLMZOWVGBSM-GXTWGEPZSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 403.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CX3CR1 CX3C1 Human Chemokine A pKi 8.14 8.14 8.14 Guide to Pharmacology
A1 AA1R Human Adenosine A pKi 6.88 6.88 6.88 ChEMBL
CXCR2 CXCR2 Human Chemokine A pKi 5.55 5.55 5.55 ChEMBL
CX3CR1 CX3C1 Human Chemokine A pKi 8.41 8.41 8.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database