CHEMBL519240


SMILES Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1
InChIKey DJKJVWJQAVGLHJ-YPMHNXCESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 327.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Rat Histamine A pKi 8.47 8.47 8.47 ChEMBL
CCR1 CCR1 Human Chemokine A pKi 10.37 10.37 10.37 ChEMBL
H3 HRH3 Rat Histamine A pKi 7.87 7.87 7.87 ChEMBL
NK2 NK2R Human Tachykinin A pKi 8.51 8.51 8.51 ChEMBL
H4 HRH4 Human Histamine A pKi 7.1 7.67 8.24 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 8.62 8.62 8.62 ChEMBL
H1 HRH1 Human Histamine A pKi 5.45 5.45 5.45 ChEMBL
H3 HRH3 Human Histamine A pKi 6.03 6.03 6.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Human Chemokine A pIC50 10.06 10.06 10.06 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 8.24 8.24 8.24 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 8.41 8.41 8.41 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 4.93 4.93 4.93 ChEMBL