EcoDrugPlus


Synonyms	Diethylhomospermine NSC-741423
Status
Molecule Category	Free-form
UNII	8G6X94GNHO
EPA CompTox	DTXSID20152459

Synonyms

Diethylhomospermine

NSC-741423

Status

Molecule Category

Free-form

UNII

8G6X94GNHO

EPA CompTox

DTXSID20152459


InChI Key	QXOCYGPVDXDFLC-UHFFFAOYSA-N
Smiles	CCNCCCCNCCCCNCCCCNCC
InChI	InChI=1S/C16H38N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h17-20H,3-16H2,1-2H3

InChI Key

QXOCYGPVDXDFLC-UHFFFAOYSA-N

Smiles

CCNCCCCNCCCCNCCCCNCC

InChI

InChI=1S/C16H38N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h17-20H,3-16H2,1-2H3

Property Name	Value
Molecular Formula	C16H38N4
Molecular Weight	286.51
AlogP	1.73
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	17.0
Polar Surface Area	48.12
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C16H38N4

Molecular Weight

286.51

AlogP

1.73

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

17.0

Polar Surface Area

48.12

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

20.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	200	-	-	-
Mus musculus	-	70-200	-	-	-
Rattus norvegicus	-	50-200	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

200

Mus musculus

70-200

Rattus norvegicus

50-200

Resources	Reference
ChEMBL	CHEMBL77101
DrugBank	DB13011
FDA SRS	8G6X94GNHO
PubChem	60702
SureChEMBL	SCHEMBL426504
ZINC	ZINC000005650422

Resources

Reference

ChEMBL

DrugBank

FDA SRS

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

DIETHYLHOMOSPERMINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References