pentostatin

Ligand id: 4805

Name: pentostatin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 112.13
Molecular weight 268.12
XLogP -1.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name
(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol
International Nonproprietary Names
INN number INN
4355 pentostatin
Synonyms
2'-deoxycoformycin | deoxycoformycin | Nipent®
Database Links
CAS Registry No. 53910-25-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1580
DrugBank Ligand DB00552
GtoPdb PubChem SID 178101507
PubChem CID 439693
RCSB PDB Ligand DCF
Search Google for chemical match using the InChIKey FPVKHBSQESCIEP-JQCXWYLXSA-N
Search Google for chemicals with the same backbone FPVKHBSQESCIEP
Search PubMed clinical trials pentostatin
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Search UniChem for chemical match using the InChIKey FPVKHBSQESCIEP-JQCXWYLXSA-N
Search UniChem for chemicals with the same backbone FPVKHBSQESCIEP
Wikipedia Pentostatin
Comments
Pentostatin is a purine (adenosine) analogue, antimetabolite chemotherapeutic anticancer drug.