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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1488
CHEMBL1488
Compound Name URACIL MUSTARD
ChEMBL Synonyms U-8344 | Uramustine | Uracil mustard
Max Phase 4 (Approved)
Trade Names Uracil Mustard
Molecular Formula C8H11Cl2N3O2

Additional synonyms for CHEMBL1488 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCCN(CCCl)C1=CNC(=O)NC1=O
Standard InChI InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14 ...
Download InChI
Standard InChI Key IDPUKCWIGUEADI-UHFFFAOYSA-N

Molecule Features

CHEMBL1488 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 10 structural alerts for CHEMBL1488. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1488

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 CHEMBL1488. 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
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.683

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.755
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 0.523

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
252.1 251.0228 0.09 5 61.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.42 - 1 .97 0 15 0.68

Compound Cross References

ChemSpider ChemSpider:IDPUKCWIGUEADI-UHFFFAOYSA-N
PubChem SID: 144205464 SID: 29216259 SID: 92079
Wikipedia Uramustine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1488



ACToR 66-75-1
ChEBI 9884
DrugBank DB00791
eMolecules 1096744
EPA CompTox Dashboard DTXSID8026270
FDA SRS W7KQ46GJ8U
Guide to Pharmacology 7621
Human Metabolome Database HMDB14929
IBM Patent System EF89527BE5A350DCCBC5682FB9DEBA24
KEGG Ligand C11686
Mcule MCULE-1273389092
Nikkaji J2.362K
PharmGKB PA451830
PubChem 6194
SureChEMBL SCHEMBL4091

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