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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1024
CHEMBL1024
Compound Name IFOSFAMIDE
ChEMBL Synonyms IFOSFAMIDE | Ifsofamide | MITOXANA | MJF 9325 | Z4942 | IFEX
Max Phase 4 (Approved)
Trade Names IFOSFAMIDE | IFEX | MITOXANA | Ifsofamide
Molecular Formula C7H15Cl2N2O2P

Additional synonyms for CHEMBL1024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCCNP1(=O)OCCCN1CCCl
Standard InChI InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/ ...
Download InChI
Standard InChI Key HOMGKSMUEGBAAB-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • 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


CHEMBL1024

Molecule Features

CHEMBL1024 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:Y Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma3ClinicalTrials
Rhabdomyosarcoma, EmbryonalD018233EFO:0000437embryonal rhabdomyosarcoma2ClinicalTrials
Sarcoma, EwingD012512EFO:0000174Ewing sarcoma3ClinicalTrials
LymphomaD008223EFO:0000574lymphoma3ClinicalTrials
Lymphoma, Mantle-CellD020522EFO:1001469Mantle cell lymphoma2ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma1ClinicalTrials
NeoplasmsD009369EFO:0000311cancer1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Neuroectodermal Tumors, PrimitiveD018242EFO:0005235primitive neuroectodermal tumor3ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia3ClinicalTrials
Rhabdomyosarcoma, AlveolarD018232EFO:0000248alveolar rhabdomyosarcoma2ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma2ClinicalTrials
Uterine Cervical NeoplasmsD002583EFO:0001061cervical carcinoma3ClinicalTrials
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma2ClinicalTrials
HistiocytomaD051642EFO:0005561histiocytoma3ClinicalTrials
SarcomaD012509EFO:0000691sarcoma3ClinicalTrials
Uterine NeoplasmsD014594EFO:0003859uterine neoplasm2ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer3ClinicalTrials
LeukemiaD007938EFO:0000565leukemia3ClinicalTrials
Neoplasms, Germ Cell and EmbryonalD009373EFO:0000514germ cell tumor2ClinicalTrials
OsteosarcomaD012516EFO:0000637osteosarcoma3ClinicalTrials
Small Cell Lung CarcinomaD055752EFO:0000702small cell lung carcinoma3ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
CarcinomaD002277EFO:0000313carcinoma3ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma3ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia2ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome1ClinicalTrials
Nasopharyngeal NeoplasmsD009303EFO:0004252nasopharyngeal neoplasm2ClinicalTrials
NeuroblastomaD009447EFO:0000621neuroblastoma3ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma3ClinicalTrials
LiposarcomaD008080EFO:0003085dedifferentiated liposarcoma2ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma3ClinicalTrials
Lymphoma, AIDS-RelatedD016483EFO:1001365Lymphoma, AIDS-Related2ClinicalTrials
Lymphoma, Large-Cell, AnaplasticD017728EFO:0003032anaplastic large cell lymphoma2ClinicalTrials
RhabdomyosarcomaD012208EFO:0002918rhabdomyosarcoma3ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma3ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma3ClinicalTrials
Testicular NeoplasmsD013736EFO:0005088testicular carcinoma2ClinicalTrials
Burkitt LymphomaD002051EFO:0000309Burkitts lymphoma2ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
Lymphoma, FollicularD008224EFO:0000096neoplasm of mature B-cells3ClinicalTrials
Penile NeoplasmsD010412EFO:1001094penile neoplasm2ClinicalTrials
SarcomaD012509EFO:1001968soft tissue sarcoma3ClinicalTrials
Testicular NeoplasmsD013736EFO:0004281testicular neoplasm2ClinicalTrials
Urethral NeoplasmsD014523EFO:0003846urethral neoplasm2ClinicalTrials

Clinical Data

ClinicalTrials.gov IFOSFAMIDE
The Cochrane Collaboration IFOSFAMIDE

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 CHEMBL1024. 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.249

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
261.1 260.0248 1.88 5 41.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.44 .76 .76 0 14 0.61

Structural Alerts

There are 14 structural alerts for CHEMBL1024. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01A - ALKYLATING AGENTS
L01AA - Nitrogen mustard analogues
L01AA06 - ifosfamide

ChemSpider ChemSpider:HOMGKSMUEGBAAB-UHFFFAOYSA-N
DailyMed ifosfamide
PubChem SID: 11112546 SID: 144204090 SID: 144209013 SID: 144213092 SID: 170464854 SID: 174007357 SID: 301170 SID: 56463644
Wikipedia Ifosfamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1024



ACToR 36341-88-5 3778-73-2 84711-20-6
BindingDB 189358
Brenda 143769
ChEBI 5864
ChemicalBook CB7489350
DrugBank DB01181
DrugCentral 1421
eMolecules 736417
EPA CompTox Dashboard DTXSID7020760
Guide to Pharmacology 7201
Human Metabolome Database HMDB0015312
IBM Patent System 6AD4FFC4344C5B84B743803DE901B2E8
KEGG Ligand C07047
LINCS LSM-5118
Mcule MCULE-1480299331
MolPort MolPort-003-666-704
Nikkaji J26.476H J599.677E J2.196B J599.676G
PharmGKB PA449964
PubChem 3690
PubChem: Thomson Pharma 14823762
Selleck Ifosfamide
SureChEMBL SCHEMBL4885

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