DEPX


SMILES CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1
InChIKey LVSWNSHUTPWCNF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 284.1

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
A2B AA2BR Human Adenosine A pKi 7.9 7.9 7.9 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 7.19 7.3 7.36 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
A1 AA1R Chicken Adenosine A pKi 5.68 5.89 6.1 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 6.26 6.95 7.35 PDSP Ki database
A1 AA1R Bovine Adenosine A pKi 8.39 8.54 8.77 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 7.91 7.91 7.91 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 7.32 7.41 7.5 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL
A1 AA1R Bovine Adenosine A pIC50 8.52 8.52 8.52 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 6.35 6.35 6.35 ChEMBL