EcoDrugPlus


Synonyms	Camin Diethylcarbamazine Hetrazan
Status
Molecule Category	Free-form
ATC	P02CB02
UNII	V867Q8X3ZD
EPA CompTox	DTXSID1022928

Synonyms

Camin

Diethylcarbamazine

Hetrazan

Status

Molecule Category

Free-form

ATC

P02CB02

UNII

V867Q8X3ZD

EPA CompTox

DTXSID1022928


InChI Key	RCKMWOKWVGPNJF-UHFFFAOYSA-N
Smiles	CCN(CC)C(=O)N1CCN(C)CC1
InChI	InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3

InChI Key

RCKMWOKWVGPNJF-UHFFFAOYSA-N

Smiles

CCN(CC)C(=O)N1CCN(C)CC1

InChI

InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3

Property Name	Value
Molecular Formula	C10H21N3O
Molecular Weight	199.3
AlogP	0.7
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.79
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H21N3O

Molecular Weight

199.3

AlogP

0.7

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.79

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

14.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Setaria cervi	-	-	-	-	10-45

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Setaria cervi

10-45

Resources	Reference
CAS NUMBER	90-89-1
ChEBI	4527
ChEMBL	CHEMBL684
DrugBank	DB00711
DrugCentral	873
FDA SRS	V867Q8X3ZD
Human Metabolome Database	HMDB0014849
KEGG	C07968
PharmGKB	PA164748883
PubChem	3052
SureChEMBL	SCHEMBL67289
ZINC	ZINC000000001288

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

KEGG

PharmGKB

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

DIETHYLCARBAMAZINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References