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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1750
CHEMBL1750
Compound Name CLOFARABINE
ChEMBL Synonyms EVOLTRA | CLOLAR | CLOFARABINE
Max Phase 4 (Approved)
Trade Names EVOLTRA | CLOLAR
Molecular Formula C10H11ClFN5O3

Additional synonyms for CHEMBL1750 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(Cl)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F
Standard InChI InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9- ...
Download InChI
Standard InChI Key WDDPHFBMKLOVOX-AYQXTPAHSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1750

Molecule Features

CHEMBL1750 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed
DNA polymerase (alpha/delta/epsilon) inhibitor DNA polymerase (alpha/delta/epsilon) DailyMed
Ribonucleoside-diphosphate reductase RR1 inhibitor Ribonucleoside-diphosphate reductase RR1 DailyMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Histiocytosis, Langerhans-CellD006646EFO:1000318Langerhans Cell Histiocytosis2ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia1ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL PositiveD015464EFO:0000339chronic myelogenous leukemia2ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC
ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma2ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease2ClinicalTrials
Lymphoma, FollicularD008224EFO:0000096neoplasm of mature B-cells1ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma1ClinicalTrials
LeukemiaD007938EFO:0000565leukemia3ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia3ClinicalTrials
OsteopetrosisD010022Orphanet:2781Osteopetrosis2ClinicalTrials
Hematologic NeoplasmsD019337EFO:0001642lymphoid neoplasm2ClinicalTrials
Leukemia, Myelomonocytic, ChronicD015477EFO:1001779chronic myelomonocytic leukemia1ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
Leukemia, Promyelocytic, AcuteD015473EFO:0000224acute promyelocytic leukemia1ClinicalTrials
NeoplasmsD009369EFO:0000311cancer4ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia3ClinicalTrials
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov CLOFARABINE
The Cochrane Collaboration CLOFARABINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1750. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL251 Adenosine A2a receptor Homo sapiens 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 1.000
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 1.000
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 1.000
CHEMBL2966 Adenosine deaminase Bos taurus 1.000
CHEMBL4975 Adenosine A1 receptor Bos taurus 1.000
CHEMBL3415 Thymidine kinase Human herpesvirus 2 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL3712907 Transmembrane domain-containing protein TMIGD3 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1910 Adenosine deaminase Homo sapiens 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 1.000
CHEMBL2982 Adenosine kinase Toxoplasma gondii 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 1.000
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL2966 Adenosine deaminase Bos taurus 1.000
CHEMBL251 Adenosine A2a receptor Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 1.000
CHEMBL3712907 Transmembrane domain-containing protein TMIGD3 Homo sapiens 1.000
CHEMBL3415 Thymidine kinase Human herpesvirus 2 1.000
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL255 Adenosine A2b receptor Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
303.7 303.0534 -0.35 2 119.31 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.56 1.25 .45 .45 2 20 0.65

Structural Alerts

There are 3 structural alerts for CHEMBL1750. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01B - ANTIMETABOLITES
L01BB - Purine analogues
L01BB06 - clofarabine

ChemSpider ChemSpider:WDDPHFBMKLOVOX-AYQXTPAHSA-N
DailyMed clofarabine
PubChem SID: 144205735 SID: 170465145
Wikipedia Clofarabine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1750



ACToR 123318-82-1
Brenda 143944 136540 128097 34457 5855
ChEBI 681569
DrugBank DB00631
DrugCentral 691
eMolecules 30512527 29256989
EPA CompTox Dashboard DTXSID5046437
FDA SRS 762RDY0Y2H
Guide to Pharmacology 6802
Human Metabolome Database HMDB0014769
IBM Patent System 1D97F6C2010B23475332B8B278759B32
LINCS LSM-45668
Mcule MCULE-2276059681
MolPort MolPort-005-941-711
Nikkaji J457.798A
PDBe CFB
PharmGKB PA164754863
PubChem 119182
PubChem: Drugs of the Future 12014412
PubChem: Thomson Pharma 14800615 14800616
Selleck Clofarabine
SureChEMBL SCHEMBL9040
ZINC ZINC000003798247

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WDDPHFBMKLOVOX-AYQXTPAHSA-N spacer
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