CHEMBL5221444


SMILES N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1
InChIKey LDXAOQSIBXRCIN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 8
Rotatable bonds 15
Molecular weight (Da) 568.3

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 pKd 7.8 7.8 7.8 ChEMBL
H2 HRH2 Human Histamine A pKi 8.28 8.28 8.28 ChEMBL
H2 HRH2 Human Histamine A pKd 7.91 7.91 7.91 ChEMBL
H1 HRH1 Human Histamine A pKi 5.45 5.45 5.45 ChEMBL
H1 HRH1 Human Histamine A pKd 8.35 8.35 8.35 ChEMBL
H3 HRH3 Human Histamine A pKi 5.0 5.0 5.0 ChEMBL
H3 HRH3 Human Histamine A pKd 8.52 8.52 8.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.22 7.22 7.22 ChEMBL
D3 DRD3 Human Dopamine A pKd 10.59 10.59 10.59 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.02 6.02 6.02 ChEMBL
D2 DRD2 Human Dopamine A pKd 10.83 10.83 10.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.39 7.18 7.7 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.53 6.53 6.53 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.95 5.95 5.95 ChEMBL