EcoDrugPlus


Synonyms	N-(3-Pyridylmethyl)Pyrrolidine
Molecule Category	Free-form
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

N-(3-Pyridylmethyl)Pyrrolidine

Molecule Category

Free-form

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	YFCWBKBNFCDPDF-UHFFFAOYSA-N
Smiles	C(N1CCCC1)c2cccnc2
InChI	InChI=1S/C10H14N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h3-5,8H,1-2,6-7,9H2

InChI Key

YFCWBKBNFCDPDF-UHFFFAOYSA-N

Smiles

C(N1CCCC1)c2cccnc2

InChI

InChI=1S/C10H14N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h3-5,8H,1-2,6-7,9H2

Property Name	Value
Molecular Formula	C10H14N2
Molecular Weight	162.23
AlogP	1.21
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	16.13
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H14N2

Molecular Weight

162.23

AlogP

1.21

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

16.13

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

12.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	1400000	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

1400000

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Apis mellifera	-	-	-	14300	-
Musca domestica	-	1400000	-	16400	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Apis mellifera

14300

Musca domestica

1400000

16400

Resources	Reference
ChEMBL	CHEMBL148489
PubChem	67786
SureChEMBL	SCHEMBL1538320

Resources

Reference

ChEMBL

CHEMBL148489

PubChem

67786

SureChEMBL

SCHEMBL1538320

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

N-(3-PYRIDYLMETHYL)PYRROLIDINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References