zalospirone


SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2[C@@H]2[C@H]1C=C2
InChIKey AERLHOTUXIJQFV-RCPZPFRWSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 419.2

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
A1 AA1R Human Adenosine A pKi 5.2 5.4 5.6 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.7 6.75 6.8 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 4.6 4.8 5.0 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.17 8.17 8.17 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 5.72 5.72 5.72 Guide to Pharmacology
A1 AA1R Human Adenosine A pKi 7.74 8.38 8.86 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.75 6.83 6.92 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.59 4.63 4.67 ChEMBL
A3 AA3R Human Adenosine A pKi 4.94 6.48 7.72 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.03 8.07 8.17 ChEMBL
A1 AA1R Bovine Adenosine A pKi 7.6 7.65 7.7 ChEMBL
A3 AA3R Rat Adenosine A pKi 5.5 5.65 5.72 ChEMBL
A2A AA2AR Guinea pig Adenosine A pKi 8.1 8.1 8.1 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.12 7.15 7.2 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.12 7.12 7.12 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
RXFP1 RXFP1 Human Relaxin family peptide A Potency 5.4 5.4 5.4 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.79 5.79 5.79 ChEMBL
A1 AA1R Rat Adenosine A pIC50 7.43 7.43 7.43 ChEMBL
A1 AA1R Guinea pig Adenosine A pEC50 6.72 6.72 6.72 ChEMBL
A2A AA2AR Guinea pig Adenosine A pEC50 5.1 5.1 5.1 ChEMBL