EcoDrugPlus


Trade Names	BICNU CARMUSTINE GLIADEL
Synonyms	BCNU Becenun Bicnu Bischloroethyl nitrosourea Camustine Carmubris Carmustine DTI-015 FDA-0345 Gliadel NSC-409962 SK-27702 SRI-1720
Status
Molecule Category	Free-form
ATC	L01AD01
UNII	U68WG3173Y
EPA CompTox	DTXSID8022743


InChI Key	DLGOEMSEDOSKAD-UHFFFAOYSA-N
Smiles	O=NN(CCCl)C(=O)NCCCl
InChI	InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)

Property Name	Value
Molecular Formula	C5H9Cl2N3O2
Molecular Weight	214.05
AlogP	1.16
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	61.77
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	12.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	FDA

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	20
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	97.5-106.75

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	97.5-106.75
Setaria cervi	-	-	-	-	20

Resources	Reference
ChEBI	3423
ChEMBL	CHEMBL513
DrugBank	DB00262
DrugCentral	512
FDA SRS	U68WG3173Y
Human Metabolome Database	HMDB0014407
Guide to Pharmacology	6800
KEGG	C06873
PharmGKB	PA448810
PubChem	2578
SureChEMBL	SCHEMBL4503
ZINC	ZINC000003830387

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

CARMUSTINE

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