EcoDrugPlus


Synonyms	Dactil Piperidolate hydrochloride
Status
Molecule Category	Salt-form
UNII	57UA660ILV
EPA CompTox	DTXSID6045292

Synonyms

Dactil

Piperidolate hydrochloride

Status

Molecule Category

Salt-form

UNII

57UA660ILV

EPA CompTox

DTXSID6045292


InChI Key	RBGWCEWDAHDPEH-UHFFFAOYSA-N
Smiles	CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl
InChI	InChI=1S/C21H25NO2.ClH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H

InChI Key

RBGWCEWDAHDPEH-UHFFFAOYSA-N

Smiles

CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl

InChI

InChI=1S/C21H25NO2.ClH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H

Property Name	Value
Molecular Formula	C21H26ClNO2
Molecular Weight	359.9
AlogP	3.85
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	29.54
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C21H26ClNO2

Molecular Weight

359.9

AlogP

3.85

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

29.54

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

24.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	65.65-96

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides

65.65-96

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	65.65-96

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Cricetulus griseus

65.65-96

Resources	Reference
ChEBI	32007
ChEMBL	CHEMBL1511957
FDA SRS	57UA660ILV
PubChem	8520
SureChEMBL	SCHEMBL437741

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PubChem

SureChEMBL

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...

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Last update: Monday, 3 November 2025

PIPERIDOLATE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References