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Compound Detail

CHEMBL292376

TECALCET
🧪 Phase II
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🧪 Phase II
COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1

Basic Information

ChEMBL ID CHEMBL292376
Name TECALCET
Phase Phase II
Structure Type MOL
InChI Key ZVQUCWXZCKWZBP-CQSZACIVSA-N

Known Names

Tecalcet
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
9
Publications
1
Known Names

Molecular Properties

303.8
MW (Da)
4.63
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -calcet
USAN Year 2002

Extended Properties

Molecular Formula C18H22ClNO
MW 303.83
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.20

Activity Summary

EC50 2 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Extracellular calcium-sensing receptor
CHEMBL1878
EC50 7.1 6.905 80.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 0.022 ng.hr.mL-1 Rattus norvegicus
CL 65.0 mL.min-1.kg-1 Rattus norvegicus
Cmax 0.01382 nM Rattus norvegicus
F 5.0 % Rattus norvegicus
MRT 1.74 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19835382 10.1021/jm9012278 Rattus norvegicus 7
- 10.6019/CHEMBL4651402 SARS-CoV-2 6
- 10.6019/CHEMBL4651402 Vero C1008 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
15149704 10.1016/j.bmcl.2004.03.056 Extracellular calcium-sensing receptor 1
10987436 10.1016/s0960-894x(00)00382-6 Extracellular calcium-sensing receptor 1
19835382 10.1021/jm9012278 Extracellular calcium-sensing receptor 1
23465611 10.1016/j.bmcl.2013.01.078 Extracellular calcium-sensing receptor 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine