cladribine   Click here for help

GtoPdb Ligand ID: 4799

Synonyms: Leustatin® | Litak® | Mavenclad®
Approved drug PDB Ligand
cladribine is an approved drug (FDA (1993), EMA (2004))
Compound class: Synthetic organic
Comment: Cladribine is a purine (adenosine) analogue and an antineoplastic and immunosuppressant agent
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 119.31
Molecular weight 285.06
XLogP -0.1
No. Lipinski's rules broken 0
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Canonical SMILES OCC1OC(CC1O)n1cnc2c1nc(Cl)nc2N
Isomeric SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Cl)nc2N
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1993), EMA (2004))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6997 cladribine
Synonyms Click here for help
Leustatin® | Litak® | Mavenclad®
Database Links Click here for help
CAS Registry No. 4291-63-8
ChEMBL Ligand CHEMBL1619
DrugBank Ligand DB00242
DrugCentral Ligand 667
GtoPdb PubChem SID 178101501
PubChem CID 20279
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Cladribine (links to external site)
Cat. No. 5292