CCPA


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1
InChIKey XSMYYYQVWPZWIZ-IDTAVKCVSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 369.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 7.7 7.9 8.1 Guide to Pharmacology
A1 AA1R Human Adenosine A pKd 9.2 9.2 9.2 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.6 5.6 5.6 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 4.4 4.55 4.7 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 7.4 7.4 7.4 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 6.63 6.63 6.63 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.02 6.02 6.02 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 6.62 6.84 7.52 ChEMBL
A1 AA1R Bovine Adenosine A pKi 6.14 8.36 9.47 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.02 6.16 6.22 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.02 8.82 9.22 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.69 6.04 7.38 ChEMBL
A3 AA3R Human Adenosine A pKi 4.73 6.97 7.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.64 6.01 7.77 ChEMBL
A1 AA1R Human Adenosine A pKi 7.82 8.6 9.1 ChEMBL
A1 AA1R Chicken Adenosine A pKi 8.4 8.4 8.4 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 8.89 9.06 9.4 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.64 5.64 5.64 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 6.19 6.19 6.19 PDSP Ki database
A1 AA1R Mouse Adenosine A pKi 9.68 9.68 9.68 ChEMBL
A3 AA3R Human Adenosine A pKi 7.37 7.37 7.37 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 8.89 8.89 8.89 Guide to Pharmacology
A3 AA3R Mouse Adenosine A pKi 7.77 7.77 7.77 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 9.0 9.0 9.0 ChEMBL
A2A AA2AR Mouse Adenosine A pKi 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 7.52 8.12 8.78 ChEMBL
A2B AA2BR Human Adenosine A pEC50 4.14 4.14 4.14 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.95 7.95 7.95 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.0 5.0 5.0 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.7 7.63 8.34 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.89 9.1 9.3 ChEMBL
RXFP1 RXFP1 Human Relaxin family peptide A Potency 4.8 4.8 4.8 ChEMBL
A1 AA1R Mouse Adenosine A pEC50 7.75 7.75 7.75 ChEMBL