EcoDrugPlus


Trade Names	BUSULFAN BUSULFEX MYLERAN
Synonyms	Busilvex Busulfan Busulfanum Busulfex Leucosulfan Myelosan Myelosanum Myleran NCI-C01592 NSC-750 Sulphabutin
Status
Molecule Category	Free-form
ATC	L01AB01
UNII	G1LN9045DK
EPA CompTox	DTXSID3020910


InChI Key	COVZYZSDYWQREU-UHFFFAOYSA-N
Smiles	CS(=O)(=O)OCCCCOS(C)(=O)=O
InChI	InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3

Property Name	Value
Molecular Formula	C6H14O6S2
Molecular Weight	246.31
AlogP	-0.28
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	7.0
Polar Surface Area	86.74
Heavy Atoms	14.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	98.16-113.68

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	98.16-113.68

Resources	Reference
CAS NUMBER	55-98-1
ChEBI	28901
ChEMBL	CHEMBL820
DrugBank	DB01008
DrugCentral	438
FDA SRS	G1LN9045DK
Human Metabolome Database	HMDB0015143
Guide to Pharmacology	7136
KEGG	C06862
PharmGKB	PA448691
PubChem	2478
SureChEMBL	SCHEMBL4373
ZINC	ZINC000001530572

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

BUSULFAN

Structure

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Metabolites Network

Pharmacology

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