EcoDrugPlus


Molecule Category	Free-form
UNII	845XW54F31
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 ...

Molecule Category

Free-form

UNII

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	MGNFYQILYYYUBS-UHFFFAOYSA-N
Smiles	CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C
InChI	InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3

InChI Key

MGNFYQILYYYUBS-UHFFFAOYSA-N

Smiles

CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C

InChI

InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3

Property Name	Value
Molecular Formula	C19H31N
Molecular Weight	273.46
AlogP	5.32
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	3.24
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C19H31N

Molecular Weight

273.46

AlogP

5.32

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

3.24

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

20.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Zea mays	-	80-3000	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Zea mays

80-3000

Resources	Reference
ChEMBL	CHEMBL1889041
FDA SRS	845XW54F31
SureChEMBL	SCHEMBL21278

Resources

Reference

ChEMBL

CHEMBL1889041

FDA SRS

845XW54F31

SureChEMBL

SCHEMBL21278

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

FENPROPIDIN

Structure

Physicochemical Descriptors

Pharmacology

Cross References