NIBR-0213


SMILES OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C
InChIKey KYHUARFFBDLROH-MOPGFXCFSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 464.2

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
S1P1 S1PR1 Human Lysophospholipid (S1P) A pKd 9.43 9.43 9.43 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 8.7 8.7 8.7 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 8.6 8.6 8.6 Guide to Pharmacology
S1P4 S1PR4 Human Lysophospholipid (S1P) A pEC50 6.61 6.61 6.61 ChEMBL