A-349,821


SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIKey CFUHKRLMDNFZED-SFTDATJTSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 422.3

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
H3 HRH3 Rat Histamine A pKd 8.71 8.71 8.71 ChEMBL
H3 HRH3 Rat Histamine A pKi 8.78 8.99 9.4 ChEMBL
H4 HRH4 Human Histamine A pKi 5.0 5.0 5.0 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.79 5.79 5.79 ChEMBL
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 ChEMBL
H1 HRH1 Human Histamine A pKi 5.63 5.63 5.63 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.78 5.78 5.78 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.01 5.01 5.01 ChEMBL
H3 HRH3 Human Histamine A pKi 7.92 8.81 9.31 ChEMBL
H3 HRH3 Human Histamine A pKd 8.67 8.67 8.67 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.03 6.03 6.03 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.79 5.79 5.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database