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Compound Detail

CHEMBL2107572

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

Basic Information

ChEMBL ID CHEMBL2107572
Name TECALCET HYDROCHLORIDE
Phase Phase II
Structure Type MOL
InChI Key YJXUXANREVNZLH-PFEQFJNWSA-N
Parent Compound CHEMBL292376
Active Moiety CHEMBL292376

Known Names

KRN-568 Norcalcin Norcalin NPS R-568 NPS-R-568 NPSR-568 R-568 Tecalcet hcl Tecalcet hydrochloride
18
Targets
18
Activities
3
Assay Types
0
PK Parameters
20
Publications
9
Known Names
1
Mechanisms

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 C18H23Cl2NO
MW 340.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.20

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Calcium sensing receptor modulator MODULATOR Extracellular calcium-sensing receptor

Activity Summary

Ki 16 meas. best 7.38
EC50 1 meas. best 7.1
IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
Ki 7.38 7.38 41.5 1
5-hydroxytryptamine receptor 2B
CHEMBL1833
Ki 7.37 7.37 43.0 1
Sigma intracellular receptor 2
CHEMBL4105907
Ki 7.13 7.13 74.6 1
Extracellular calcium-sensing receptor
CHEMBL1878
EC50 7.1 7.1 80.0 1
5-hydroxytryptamine receptor 2C
CHEMBL225
Ki 6.79 6.79 162.3 1
5-hydroxytryptamine receptor 2A
CHEMBL224
Ki 6.74 6.74 181.0 1
D(3) dopamine receptor
CHEMBL234
Ki 6.06 6.06 874.6 1
Histamine H1 receptor
CHEMBL231
Ki 6.04 6.04 908.8 1
Alpha-2B adrenergic receptor
CHEMBL1942
Ki 6.02 6.02 954.7 1
5-hydroxytryptamine receptor 5A
CHEMBL3426
Ki 5.96 5.96 1091.1 1
Kappa-type opioid receptor
CHEMBL237
Ki 5.85 5.85 1403.6 1
Histamine H2 receptor
CHEMBL1941
Ki 5.85 5.85 1401.8 1
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 5.84 5.84 1444.4 1
Alpha-2C adrenergic receptor
CHEMBL1916
Ki 5.8 5.8 1581.2 1
Sodium-dependent noradrenaline transporter
CHEMBL222
Ki 5.71 5.71 1926.4 1
Mu-type opioid receptor
CHEMBL233
Ki 5.66 5.66 2205.5 1
Psychosine receptor
CHEMBL3714081
IC50 5.66 5.66 2189.9 1
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 5.63 5.63 2316.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sigma non-opioid intracellular receptor 1 Ki = 41.46 nM 7.38 PDSP Secondary Binding target: SIGMAR1 - Compounds are tested at 10 uM concentra... -
5-hydroxytryptamine receptor 2B Ki = 42.95 nM 7.37 PDSP Secondary Binding target: HTR2B - Compounds are tested at 10 uM concentrati... -
Sigma intracellular receptor 2 Ki = 74.59 nM 7.13 PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentrat... -
Extracellular calcium-sensing receptor EC50 = 80.0 nM 7.1 Positive allosteric modulation of human CaSR expressed in CHO cells assessed as ... 23499504
5-hydroxytryptamine receptor 2C Ki = 162.26 nM 6.79 PDSP Secondary Binding target: HTR2C - Compounds are tested at 10 uM concentrati... -
5-hydroxytryptamine receptor 2A Ki = 180.96 nM 6.74 PDSP Secondary Binding target: HTR2A - Compounds are tested at 10 uM concentrati... -
D(3) dopamine receptor Ki = 874.58 nM 6.06 PDSP Secondary Binding target: DRD3 - Compounds are tested at 10 uM concentratio... -
Histamine H1 receptor Ki = 908.76 nM 6.04 PDSP Secondary Binding target: HRH1 - Compounds are tested at 10 uM concentratio... -
Alpha-2B adrenergic receptor Ki = 954.66 nM 6.02 PDSP Secondary Binding target: ADRA2B - Compounds are tested at 10 uM concentrat... -
5-hydroxytryptamine receptor 5A Ki = 1091.06 nM 5.96 PDSP Secondary Binding target: HTR5A - Compounds are tested at 10 uM concentrati... -
Histamine H2 receptor Ki = 1401.85 nM 5.85 PDSP Secondary Binding target: HRH2 - Compounds are tested at 10 uM concentratio... -
Kappa-type opioid receptor Ki = 1403.62 nM 5.85 PDSP Secondary Binding target: OPRK1 - Compounds are tested at 10 uM concentrati... -
5-hydroxytryptamine receptor 1A Ki = 1444.44 nM 5.84 PDSP Secondary Binding target: HTR1A - Compounds are tested at 10 uM concentrati... -
Alpha-2C adrenergic receptor Ki = 1581.25 nM 5.8 PDSP Secondary Binding target: ADRA2C - Compounds are tested at 10 uM concentrat... -
Sodium-dependent noradrenaline transporter Ki = 1926.42 nM 5.71 PDSP Secondary Binding target: SLC6A2 - Compounds are tested at 10 uM concentrat... -
Psychosine receptor IC50 = 2189.91 nM 5.66 GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR65 -
Mu-type opioid receptor Ki = 2205.47 nM 5.66 PDSP Secondary Binding target: OPRM1 - Compounds are tested at 10 uM concentrati... -
5-hydroxytryptamine receptor 6 Ki = 2316.06 nM 5.63 PDSP Secondary Binding target: HTR6 - Compounds are tested at 10 uM concentratio... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4689842 HEK-293T 345
- 10.6019/CHEMBL4689842 Fibroblast 345
- 10.6019/CHEMBL4689842 U2OS 344
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 5
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 5
- 10.6019/CHEMBL5209801 Apelin receptor 5
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 5
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 5
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 5
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 5
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 5
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 5
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 5
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 5
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 5
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL5665443 Uracil-DNA glycosylase 1
- 10.6019/CHEMBL5060014 Casein kinase I isoform delta 1
- 10.6019/CHEMBL5060014 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine