CHEMBL5221433


SMILES N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1
InChIKey OVYZCEIGUJNWKN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 8
Rotatable bonds 17
Molecular weight (Da) 596.3

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 5.05 5.05 5.05 ChEMBL
H4 HRH4 Human Histamine A pKd 7.8 7.8 7.8 ChEMBL
H2 HRH2 Human Histamine A pKd 7.91 7.91 7.91 ChEMBL
H2 HRH2 Human Histamine A pKi 8.32 8.32 8.32 ChEMBL
H1 HRH1 Human Histamine A pKi 5.74 5.74 5.74 ChEMBL
H1 HRH1 Human Histamine A pKd 8.35 8.35 8.35 ChEMBL
H3 HRH3 Human Histamine A pKi 5.16 5.16 5.16 ChEMBL
H3 HRH3 Human Histamine A pKd 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database