cinacalcet


SMILES C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F
InChIKey VDHAWDNDOKGFTD-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 357.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8SZG 8SZF 8WPG 8WPU 8SZH 7M3F
Ligand site mutations CaS

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu5 GRM5 Rat Metabotropic glutamate C pKi 4.35 4.35 4.35 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 5.8 5.8 5.8 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.18 6.18 6.18 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.71 5.71 5.71 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.41 6.41 6.41 ChEMBL
κ OPRK Human Opioid A pKi 6.35 6.35 6.35 ChEMBL
μ OPRM Human Opioid A pKi 5.89 5.89 5.89 ChEMBL
mGlu5 GRM5 Rat Metabotropic glutamate C pKi 8.36 8.36 8.36 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.77 5.77 5.77 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.01 6.01 6.01 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.74 5.74 5.74 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.24 6.24 6.24 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.54 5.54 5.54 ChEMBL
H2 HRH2 Human Histamine A pKi 5.58 5.58 5.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CaS CASR Human Calcium-sensing C pEC50 7.3 7.3 7.3 Guide to Pharmacology
CaS CASR Human Calcium-sensing C pKB 5.9 6.25 6.6 Guide to Pharmacology
FPR3 FPR3 Human Formylpeptide A pIC50 5.4 5.4 5.4 ChEMBL
GPR183 GP183 Human Orphan A pIC50 5.44 5.44 5.44 ChEMBL
CaS CASR Human Calcium-sensing C pEC50 6.75 7.49 8.4 ChEMBL
CaS CASR Human Calcium-sensing C pIC50 5.55 5.55 5.55 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.47 5.47 5.47 ChEMBL
CaS CASR Human Calcium-sensing C pEC50 8.11 8.11 8.11 Drug Central
FPR1 FPR1 Human Formylpeptide A pIC50 5.1 5.1 5.1 ChEMBL