tecalcet


SMILES COc1cccc(c1)[C@H](NCCCc1ccccc1Cl)C
InChIKey ZVQUCWXZCKWZBP-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 303.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 9AXF 9AYF 9ASB 9AVG 9AVL 7SIL
Ligand site mutations CaS

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CaS CASR Human Calcium-sensing C pKd 6.5 6.5 6.5 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 6.02 6.02 6.02 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.8 5.8 5.8 ChEMBL
H2 HRH2 Human Histamine A pKi 5.85 5.85 5.85 ChEMBL
H1 HRH1 Human Histamine A pKi 6.04 6.04 6.04 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.63 5.63 5.63 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.37 7.37 7.37 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.79 6.79 6.79 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.84 5.84 5.84 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.06 6.06 6.06 ChEMBL
κ OPRK Human Opioid A pKi 5.85 5.85 5.85 ChEMBL
μ OPRM Human Opioid A pKi 5.66 5.66 5.66 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.74 6.74 6.74 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CaS CASR Human Calcium-sensing C pKB 6.2 6.4 6.6 Guide to Pharmacology
CaS CASR Human Calcium-sensing C pEC50 6.71 6.97 7.1 ChEMBL