EcoDrugPlus


Synonyms	Tecalcet
Status
Molecule Category	Free-form
UNII	8I16YLE4US
EPA CompTox	DTXSID90164084

Synonyms

Tecalcet

Status

Molecule Category

Free-form

UNII

8I16YLE4US

EPA CompTox

DTXSID90164084


InChI Key	ZVQUCWXZCKWZBP-CQSZACIVSA-N
Smiles	COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1
InChI	InChI=1S/C18H22ClNO/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/t14-/m1/s1

InChI Key

ZVQUCWXZCKWZBP-CQSZACIVSA-N

Smiles

COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1

InChI

InChI=1S/C18H22ClNO/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/t14-/m1/s1

Property Name	Value
Molecular Formula	C18H22ClNO
Molecular Weight	303.83
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

Property Name

Value

Molecular Formula

C18H22ClNO

Molecular Weight

303.83

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor	80-194	-	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor

80-194

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	80-194	-	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

80-194

Resources	Reference
ChEMBL	CHEMBL292376
FDA SRS	8I16YLE4US
Guide to Pharmacology	718
PubChem	158797
SureChEMBL	SCHEMBL311950
ZINC	ZINC000001538900

Resources

Reference

ChEMBL

CHEMBL292376

FDA SRS

8I16YLE4US

Guide to Pharmacology

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TECALCET

Structure

Physicochemical Descriptors

Pharmacology

Cross References