N-chloromethyl-brucine


SMILES COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl
InChIKey GCEPQLWZBVGLQN-CQIPDZJVSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 443.2

Drug properties

Molecular type Small molecule
Endogenous/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
LPA1 LPAR1 Human Lysophospholipid (LPA) A pEC50 6.1 6.15 6.2 Guide to Pharmacology
LPA3 LPAR3 Human Lysophospholipid (LPA) A pEC50 7.21 7.21 7.21 Guide to Pharmacology
LPA1 LPAR1 Human Lysophospholipid (LPA) A pEC50 6.24 6.24 6.24 ChEMBL
LPA3 LPAR3 Human Lysophospholipid (LPA) A pEC50 7.1 7.1 7.1 ChEMBL