PSB-KD107


SMILES Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2
InChIKey PUJKERUFRDZALE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 378.2

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
A2A AA2AR Rat Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.6 4.6 4.6 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.34 5.34 5.34 ChEMBL
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.34 5.34 5.34 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 6.25 6.25 6.25 Guide to Pharmacology
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pIC50 6.03 6.03 6.03 ChEMBL
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 6.25 6.25 6.25 ChEMBL