CYCLOPHOSPHAMIDE


Trade Names	CYCLOPHOSPHAMIDE CYTOXAN CYTOXAN (LYOPHILIZED) LYOPHILIZED CYTOXAN NEOSAR
Synonyms	B-518 Ciclofosfamide Cycloblastin Cyclophosphamide Cyclophosphamide anhydrous Cyclophosphamide hydrate Cyclophosphamide monohydrate Cyclophosphamidum Cyclophosphanum Cyclostin Cytophosphan Cytophosphane Cytoxan Cytoxan (lyophilized) Endoxan
Status
Molecule Category	Free-form
ATC	L01AA01
UNII	8N3DW7272P
EPA CompTox	DTXSID6024888


InChI Key	CMSMOCZEIVJLDB-UHFFFAOYSA-N
Smiles	O=P1(N(CCCl)CCCl)NCCCO1
InChI	InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)

Property Name	Value
Molecular Formula	C7H17Cl2N2O3P
Molecular Weight	279.1
AlogP	1.88
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	41.57
Molecular species	NEUTRAL
Aromatic Rings	0.0
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 SLC22 family of organic cation and anion transporters	-	-	-	-	4.7

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	90-240	-	-	4.7-72
Mus musculus	-	-	-	-	36.2-91.68
Rattus norvegicus	-	-	-	-	18-100

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	4026
ChEMBL	CHEMBL1200796
FDA SRS	8N3DW7272P
Guide to Pharmacology	7154
KEGG	C06933
PubChem	22420
SureChEMBL	SCHEMBL6071
ChEBI	4027
ChEMBL	CHEMBL88
DrugBank	DB00531
DrugCentral	758
FDA SRS	6UXW23996M
Human Metabolome Database	HMDB0014672
Guide to Pharmacology	7154
KEGG	C07888
PharmGKB	PA449165
PubChem	22420
SureChEMBL	SCHEMBL4346

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...

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Last update: Monday, 3 November 2025

CYCLOPHOSPHAMIDE

Structure

Physicochemical Descriptors

Metabolites Network

Pharmacology

Related Entries

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