DPCPX


SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1
InChIKey FFBDFADSZUINTG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 304.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations A1 A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 7.4 8.3 9.2 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.6 6.9 7.2 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.9 7.1 7.3 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.4 6.01 6.61 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 9.0 9.37 9.74 Guide to Pharmacology
A2B AA2BR Rat Adenosine A pKi 6.7 6.71 6.73 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 4.37 5.98 7.6 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.3 6.55 6.8 Guide to Pharmacology
A1 AA1R Guinea pig Adenosine A pKi 8.19 8.23 8.53 ChEMBL
A3 AA3R Rat Adenosine A pKi 5.28 5.28 5.28 ChEMBL
A1 AA1R Bovine Adenosine A pKi 9.3 9.41 9.81 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.15 6.46 6.8 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.42 9.24 9.68 ChEMBL
A1 AA1R Rat Adenosine A pKd 8.24 8.24 8.24 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.13 6.95 7.29 ChEMBL
A3 AA3R Human Adenosine A pKi 5.4 5.88 6.7 ChEMBL
A1 AA1R Human Adenosine A pKi 7.02 8.58 9.33 ChEMBL
A1 AA1R Human Adenosine A pKd 8.43 8.5 8.57 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.1 6.67 7.25 ChEMBL
A2A AA2AR Human Adenosine A pKd 6.97 7.04 7.12 ChEMBL
A2B AA2BR Mouse Adenosine A pKi 7.06 7.06 7.06 Guide to Pharmacology
A2B AA2BR Rat Adenosine A pKi 6.73 6.73 6.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Guinea pig Adenosine A pIC50 8.88 8.88 8.88 ChEMBL
A2A AA2AR Rat Adenosine A pIC50 5.96 5.96 5.96 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.65 4.65 4.65 ChEMBL
A1 AA1R Rat Adenosine A pIC50 8.22 8.29 8.33 ChEMBL
A2B AA2BR Human Adenosine A pIC50 7.37 7.89 8.42 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.6 8.51 9.3 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.03 7.43 8.82 ChEMBL
A2A AA2AR Human Adenosine A pIC50 6.58 6.71 6.88 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.2 5.2 5.2 ChEMBL