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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL467
CHEMBL467
Compound Name HYDROXYUREA
ChEMBL Synonyms HYDROXYUREA | HYDROXYCARBAMIDE | DROXIA | HYDREA | SQ 1089 | SQ-1089
Max Phase 4 (Approved)
Trade Names Hydroxyurea | DROXIA | HYDREA
Molecular Formula CH4N2O2

Additional synonyms for CHEMBL467 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)NO
Standard InChI InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
Standard InChI Key VSNHCAURESNICA-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • 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


CHEMBL467

Molecule Features

CHEMBL467 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:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Ribonucleoside-diphosphate reductase RR1 inhibitor Ribonucleoside-diphosphate reductase RR1 DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ANEMIA, SICKLE CELLD000755Orphanet:232SICKLE CELL ANEMIA4ClinicalTrials
GLIOBLASTOMAD005909EFO:0000519GLIOBLASTOMA MULTIFORME3ClinicalTrials
GLIOMAD005910EFO:0000326CENTRAL NERVOUS SYSTEM CANCER2ClinicalTrials
LEUKEMIAD007938EFO:0000565LEUKEMIA3ClinicalTrials
MELANOMAD008545EFO:0000756MELANOMA4DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
MYELODYSPLASTIC SYNDROMESD009190EFO:0000198MYELODYSPLASTIC SYNDROME3ClinicalTrials
POLYCYTHEMIA VERAD011087EFO:0002429POLYCYTHEMIA VERA3ClinicalTrials
FIBROMAD005350EFO:0000497FIBROMATOSIS2ClinicalTrials
MENINGIOMAD008579Orphanet:2495MENINGIOMA2ClinicalTrials
THROMBOCYTHEMIA, ESSENTIALD013920EFO:0000479ESSENTIAL THROMBOCYTHEMIA3ClinicalTrials
BETA-THALASSEMIAD017086Orphanet:231222BETA-THALASSEMIA INTERMEDIA2ClinicalTrials
MULTIPLE SCLEROSISD009103EFO:0003885MULTIPLE SCLEROSIS2ClinicalTrials
NEOPLASMSD009369EFO:0000616NEOPLASM4ATC

Clinical Data

ClinicalTrials.gov HYDROXYUREA
The Cochrane Collaboration HYDROXYUREA

Metabolites for CHEMBL467

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
76.1 76.0273 -1.03 0 75.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.56 - -1.8 -1.8 0 5 0.26

Structural Alerts

There are 5 structural alerts for CHEMBL467. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XX - Other antineoplastic agents
L01XX05 - hydroxycarbamide

ChemSpider ChemSpider:VSNHCAURESNICA-UHFFFAOYSA-N
DailyMed hydroxyurea
PubChem SID: 11111283 SID: 144210638 SID: 170465025 SID: 174007362 SID: 26747533 SID: 50106399 SID: 57260119 SID: 85231078 SID: 90341681 SID: 90752
Wikipedia Hydroxycarbamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL467



ACToR 127-07-1
Atlas hydroxyurea
BindingDB 50017811
Brenda 850 30240 170144 62722
ChEBI 44423
DrugBank DB01005
DrugCentral 1399
eMolecules 520405
EPA CompTox Dashboard DTXSID6025438
FDA SRS X6Q56QN5QC
Guide to Pharmacology 6822
Human Metabolome Database HMDB0015140
IBM Patent System 3EEFD43DBBEB7726248EB2C7E01A9E39
KEGG Ligand C07044
Mcule MCULE-9465284053
Nikkaji J2.937H
PDBe NHY
PharmGKB PA449942
PubChem 3657
PubChem: Drugs of the Future 12014598
PubChem: Thomson Pharma 14747331
Rhea 44423
Selleck Hydroxyurea(Cytodrox)
SureChEMBL SCHEMBL4004 SCHEMBL19375830
ZINC ZINC000008034120

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