CHEMBL5222793


SMILES CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1
InChIKey KCCBFGKNVMTXIQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 367.2

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
H4 HRH4 Human Histamine A pKi 4.9 4.9 4.9 ChEMBL
H4 HRH4 Human Histamine A pKd 7.8 7.8 7.8 ChEMBL
H2 HRH2 Human Histamine A pKi 7.71 7.71 7.71 ChEMBL
H2 HRH2 Human Histamine A pKd 7.91 7.91 7.91 ChEMBL
H1 HRH1 Human Histamine A pKi 5.13 5.13 5.13 ChEMBL
H1 HRH1 Human Histamine A pKd 8.35 8.35 8.35 ChEMBL
H3 HRH3 Human Histamine A pKi 5.56 5.56 5.56 ChEMBL
H3 HRH3 Human Histamine A pKd 8.52 8.52 8.52 ChEMBL
D3 DRD3 Human Dopamine A pKd 10.59 10.59 10.59 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.63 6.63 6.63 ChEMBL
D2 DRD2 Human Dopamine A pKd 10.83 10.83 10.83 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.79 5.79 5.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.87 7.57 7.97 ChEMBL
D3 DRD3 Human Dopamine A pEC50 5.87 5.87 5.87 ChEMBL