NBI-42902


SMILES COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)N)c(=O)n(c1C)Cc1c(F)cccc1F
InChIKey CJUWBZDJMYYRDG-QFIPXVFZSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 495.2

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
A2A AA2AR Human Adenosine A pKi 6.2 6.2 6.2 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.3 7.3 7.3 Guide to Pharmacology
A2A AA2AR Guinea pig Adenosine A pKi 5.52 5.55 5.57 ChEMBL
A1 AA1R Guinea pig Adenosine A pKi 5.85 6.18 6.7 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.8 6.19 6.35 ChEMBL
A1 AA1R Chicken Adenosine A pKi 7.95 7.95 7.95 PDSP Ki database
A1 AA1R Human Adenosine A pKi 8.6 8.6 8.6 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.81 6.81 6.81 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 7.25 7.28 7.3 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.29 6.29 6.29 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.35 6.35 6.35 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 5.58 5.58 5.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 5.82 5.82 5.82 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.3 7.3 7.3 ChEMBL