UK-432,097


SMILES CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2NCC(c1ccccc1)c1ccccc1)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1
InChIKey ZOTHAEBAWXWVID-HXEFRTELSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 7
Rotatable bonds 14
Molecular weight (Da) 777.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 3QAK 5WF5 5WF6 7EZC

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 6.23 6.23 6.23 ChEMBL
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 6.51 6.51 6.51 ChEMBL