LUF5831


SMILES OCCSc1nc(N)c(c(c1C#N)c1ccc(cc1)O)C#N
InChIKey GYIHPWFWFRELQC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 312.1

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
CB1 CNR1 Rat Cannabinoid A pKi 8.1 8.1 8.1 Guide to Pharmacology
CB1 CNR1 Rat Cannabinoid A pKi 8.13 8.52 9.22 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 6.95 6.95 6.96 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 8.64 8.64 8.64 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 8.12 8.43 8.64 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 5.64 6.73 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 4.02 4.02 4.02 Guide to Pharmacology
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 5.02 6.21 7.41 Guide to Pharmacology
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 7.16 7.19 7.24 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 6.47 7.87 9.49 ChEMBL
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 6.2 6.2 6.2 ChEMBL