CVT-6883


SMILES CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F
InChIKey KOYXXLLNCXWUNF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 446.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 5.71 5.71 5.71 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.48 5.48 5.48 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.66 7.66 7.66 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.97 5.97 5.97 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.66 7.8 8.08 ChEMBL
A3 AA3R Human Adenosine A pKi 5.97 5.97 5.97 ChEMBL
A1 AA1R Human Adenosine A pKi 5.71 5.71 5.71 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.48 5.48 5.48 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 7.66 7.66 7.66 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.97 5.97 5.97 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.71 5.71 5.71 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database