CHEMBL1465592


SMILES CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1
InChIKey VKSOIYNNOFGGES-MDWZMJQESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 300.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P4 S1PR4 Human Lysophospholipid (S1P) A pIC50 6.12 6.12 6.12 ChEMBL
S1P2 S1PR2 Human Lysophospholipid (S1P) A pIC50 5.42 5.48 5.54 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 5.38 5.38 5.38 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 4.83 4.83 4.83 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL