TECALCET HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3HP28R98LC

Structure
InChI Key YJXUXANREVNZLH-PFEQFJNWSA-N
Smile COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl
InChI
InChI=1S/C18H22ClNO.ClH/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19;/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3;1H/t14-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23Cl2NO
Molecular Weight 340.29
AlogP 4.63
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 21.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Calcium sensing receptor modulator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 18.34
Enzyme
- - - -
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - 1403.62 11.83
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 1581.25 15.52
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 874.58 12.59
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 1401.85 0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1091.06 22.35
Membrane receptor Family A G protein-coupled receptor
- 2189.91 - 1091.06 0
Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor
80 - - - -
Membrane receptor
80 2189.91 - 1091.06 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 1926.42 26.15

Cross References

Resources Reference
ChEMBL CHEMBL2107572
EPA CompTox DTXSID10170263
FDA SRS 3HP28R98LC
PubChem 11078321
SureChEMBL SCHEMBL1178446
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