lintitript


SMILES OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl
InChIKey ILNRQFBVVQUOLP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 411.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7F8U

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 8.46 8.46 8.46 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.0 7.05 8.1 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 7.0 7.45 7.9 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.19 8.19 8.19 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKi 8.04 8.04 8.04 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 4.0 4.0 4.0 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.48 8.39 9.4 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.68 7.94 8.46 ChEMBL
A2B AA2BR Human Adenosine A pKd 8.0 8.0 8.0 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.36 7.63 8.01 ChEMBL
A3 AA3R Human Adenosine A pKi 4.07 7.09 8.1 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.64 9.2 9.85 ChEMBL
A2A AA2AR Human Adenosine A pKd 8.49 8.49 8.49 ChEMBL
A1 AA1R Human Adenosine A pKd 7.12 7.12 7.12 ChEMBL
A1 AA1R Human Adenosine A pKi 8.35 8.36 8.36 ChEMBL
A3 AA3R Human Adenosine A pKi 6.91 7.09 7.29 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 8.22 8.22 8.22 PDSP Ki database
A1 AA1R Human Adenosine A pKi 8.46 8.46 8.46 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 8.38 8.89 9.4 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 7.36 7.63 8.01 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 7.7 8.55 9.4 Guide to Pharmacology
A1 AA1R Guinea pig Adenosine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pA2 7.8 7.8 7.8 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pIC50 8.48 8.48 8.48 ChEMBL
A1 AA1R Rat Adenosine A pIC50 7.68 7.86 8.22 ChEMBL
A2B AA2BR Human Adenosine A pIC50 5.92 6.57 7.22 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.39 6.39 6.39 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.92 7.92 7.92 ChEMBL