Molecule Details
| InChIKey | PTOAARAWEBMLNO-KVQBGUIXSA-N |
|---|---|
| Compound Name | Cladribine |
| Canonical SMILES | Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.05 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00242 |
|---|---|
| Drug Name | Cladribine |
| CAS Number | 4291-63-8 |
| Groups | approved investigational |
| ATC Codes | L04AA40 L01BB04 |
| Description | Cladribine is a purine analogue or a chlorinated derivative of adenine [A263733] that causes apoptosis of B and T lymphocytes.[A350] Cladribine was first approved in the United States in 1993 [A263713] initially as a treatment for a number of hematological malignancies; currently, it is approved for... |
Categories: 2-Chloroadenosine Agents Causing Muscle Toxicity Antimetabolites Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Substrates Cardiotoxic antineoplastic agents Deoxyadenosines Deoxyribonucleosides Heterocyclic Compounds, Fused-Ring Immunologic Factors Immunosuppressive Agents Myelosuppressive Agents Nucleic Acids, Nucleotides, and Nucleosides Nucleosides P-glycoprotein substrates Purine Analogues Purine Antimetabolite Purine Nucleosides Purines Ribonucleosides Selective Immunosuppressants
Cross-references: BindingDB: 50008366 ChEBI: 567361 CHEMBL1619 ChemSpider: 19105 Drugs Product Database (DPD): 1739 D01370 PDB: CL9 PharmGKB: PA449027 PubChem:20279 PubChem:46504588 RxCUI: 44157 Therapeutic Targets Database: DAP000565 Wikipedia: Cladribine ZINC: ZINC000003798064
Target Activities (3)
DrugBank Target Actions (17)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P27707 | DCK | Deoxycytidine kinase | substrate | enzymes |
| Q16854 | Q16854 | Deoxyguanosine kinase, mitochondrial | substrate | enzymes |
| P00491 | PNP | Purine nucleoside phosphorylase | inducer | targets |
| P09874 | PARP1 | Poly [ADP-ribose] polymerase 1 | inducer | targets |
| P00813 | ADA | Adenosine deaminase | inhibitor | targets |
| P09884 | POLA1 | DNA polymerase alpha catalytic subunit | inhibitor | targets |
| P23921 | RRM1 | Ribonucleoside-diphosphate reductase large subunit | inhibitor | targets |
| P31350 | RRM2 | Ribonucleoside-diphosphate reductase subunit M2 | inhibitor | targets |
| P56282 | P56282 | DNA polymerase epsilon subunit 2 | inhibitor | targets |
| Q07864 | Q07864 | DNA polymerase epsilon catalytic subunit A | inhibitor | targets |
| Q7LG56 | RRM2B | Ribonucleoside-diphosphate reductase subunit M2 B | inhibitor | targets |
| Q9NR33 | Q9NR33 | DNA polymerase epsilon subunit 4 | inhibitor | targets |
| Q9NRF9 | POLE3 | DNA polymerase epsilon subunit 3 | inhibitor | targets |
| Q99808 | SLC29A1 | Equilibrative nucleoside transporter 1 | binder | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9HAS3 | Q9HAS3 | Solute carrier family 28 member 3 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |