DIETHYLCARBAMAZINE

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Search structure


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


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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

Physicochemical Descriptors

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

Assay Description	Organism	Bioactivity	Reference
Percent inhibition of filarial parasite Setaria cervi by compound at 20 ug/mL concentration	Setaria cervi	10.0 %
Percent inhibition of filarial parasite Setaria cervi by compound at 40 ug/mL concentration	Setaria cervi	45.0 %
Antifilarial activity against microfilariae Brugia malayi by motility assay	Brugia malayi	354.0 ug.mL-1
Antifilarial activity against adult Brugia malayi by motility assay	Brugia malayi	289.0 ug.mL-1
Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020); MIC in CAMBH media, using NBS plates, by OD(600)	Staphylococcus aureus subsp. aureus	20.12 %
Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CAMBH media using NBS plates, by OD(600)	Escherichia coli	7.97 %
Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); MIC in CAMBH media using NBS plates, by OD(600)	Klebsiella pneumoniae	16.19 %
Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC in CAMBH media using NBS plates, by OD(600)	Pseudomonas aeruginosa	13.01 %
Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MIC in CAMBH media using NBS plates, by OD600	Acinetobacter baumannii	9.65 %
Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB media using NBS plates, by OD630	Candida albicans	2.79 %
Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); MIC in YNB media using NBS plates, by Resazurin OD(600-570)	Cryptococcus neoformans	-5.92 %
Growth inhibiting activity of Naegleria gruberi in vitro	Naegleria gruberi	19.0 %

Cross References

Resources	Reference
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

CONTENTS

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).