CLADRIBINE


Trade Names	CLADRIBINE LEUSTATIN MAVENCLAD
Synonyms	2-cda Cladaribine Cladribine Leustat Leustatin Litak Mavenclad NSC-05014 NSC-105014 NSC-105014-F RWJ 26251 RWJ-26251
Status
Molecule Category	Free-form
ATC	L01BB04 L04AA40
UNII	47M74X9YT5
EPA CompTox	DTXSID8022828


InChI Key	PTOAARAWEBMLNO-KVQBGUIXSA-N
Smiles	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChI	InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1

Property Name	Value
Molecular Formula	C10H12ClN5O3
Molecular Weight	285.69
AlogP	-0.3
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	119.31
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	19.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 2 Phosphodiesterase 2A	-	-	-	-	7.91

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.5-700	-	-	7.91-44.77
Mus musculus	-	70-848	-	-	-
Rattus norvegicus	-	-	-	-	9

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	567361
ChEMBL	CHEMBL1619
DrugBank	DB00242
DrugCentral	667
FDA SRS	47M74X9YT5
Human Metabolome Database	HMDB0014387
Guide to Pharmacology	4799
PDB	CL9
PharmGKB	PA449027
PubChem	20279
SureChEMBL	SCHEMBL3775
ZINC	ZINC000003798064

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

CLADRIBINE

Structure

Physicochemical Descriptors

Pharmacology

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