CHEMBL4846201


SMILES Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1
InChIKey TYUKINNXLNULMD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 416.2

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
H4 HRH4 Human Histamine A pKi 6.11 6.11 6.11 ChEMBL
H2 HRH2 Human Histamine A pKi 7.22 7.22 7.22 ChEMBL
H1 HRH1 Human Histamine A pKi 5.15 5.15 5.15 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.25 7.25 7.25 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.23 6.23 6.23 ChEMBL
H3 HRH3 Human Histamine A pKi 5.64 5.64 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 5.6 5.6 5.6 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.38 6.38 6.38 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.53 5.53 5.53 ChEMBL