AS100


SMILES CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl
InChIKey OESRCCUPNGDTIR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 533.1

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
CB2 CNR2 Human Cannabinoid A pKi 7.5 7.5 7.5 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 7.04 7.44 7.51 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 5.28 5.42 6.08 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.44 7.44 7.44 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 6.08 6.08 6.08 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pEC50 5.5 6.41 7.12 ChEMBL
CB2 CNR2 Human Cannabinoid A pIC50 5.14 5.14 5.14 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.2 5.2 5.2 ChEMBL