HE-NECA


SMILES CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NCC)O)O
InChIKey FDEACFAXFCKCHZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 388.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 6.12 6.96 8.62 PDSP Ki database
A1 AA1R Human Adenosine A pKi 7.22 7.22 7.22 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 8.19 8.19 8.19 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 8.66 8.66 8.66 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 6.89 6.89 6.89 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database