EcoDrugPlus


Trade Names	ARRANON
Synonyms	506U 506U78 Arranon Atriance Attriance GW-506U78 MAY NSC-686673 NSC-755985 NSC-759876 Nelarabine Nelzarabine
Status
Molecule Category	Free-form
ATC	L01BB07
UNII	60158CV180
EPA CompTox	DTXSID6046842


InChI Key	IXOXBSCIXZEQEQ-UHTZMRCNSA-N
Smiles	COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1

Property Name	Value
Molecular Formula	C11H15N5O5
Molecular Weight	297.27
AlogP	-1.97
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	148.77
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	DailyMed

Resources	Reference
ChEBI	63612
ChEMBL	CHEMBL1201112
DrugBank	DB01280
DrugCentral	1892
FDA SRS	60158CV180
Human Metabolome Database	HMDB0015401
Guide to Pharmacology	7090
PharmGKB	PA164752425
PubChem	3011155
SureChEMBL	SCHEMBL18820
ZINC	ZINC000003823492

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

NELARABINE

Structure

Physicochemical Descriptors

Pharmacology

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