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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL90555
CHEMBL90555
Compound Name VINCRISTINE
ChEMBL Synonyms VINCRISTINE SULFATE PFS | VINCREX | VINCASAR PFS | Vincasar | ONCOVIN | MARQIBO KIT | VINCRISTINE SULFATE | Leurocristine Sulfate | 37231 | NSC-67574 | Kyocristine | VINCRISTINE
Max Phase 4 (Approved)
Trade Names VINCRISTINE SULFATE PFS | VINCREX | VINCASAR PFS | MARQIBO KIT | ONCOVIN | Vincasar | Leurocristine Sulfate | VINCRISTINE SULFATE | Kyocristine
Molecular Formula C46H56N4O10

Additional synonyms for CHEMBL90555 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5 ...
Download SMILES
Standard InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30 ...
Download InChI
Standard InChI Key OGWKCGZFUXNPDA-XQKSVPLYSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL90555

Molecule Features

CHEMBL90555 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Tubulin inhibitor Tubulin DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Brain NeoplasmsD001932EFO:0003833brain neoplasm1ClinicalTrials
CarcinomaD002277EFO:0000313carcinoma3ClinicalTrials
ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme2ClinicalTrials
HIV InfectionsD015658EFO:0000180HIV-1 infection3ClinicalTrials
Lymphoma, AIDS-RelatedD016483EFO:1001365Lymphoma, AIDS-Related2ClinicalTrials
ClinicalTrials
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma3ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma3ClinicalTrials
HepatoblastomaD018197EFO:1000292Hepatoblastoma3ClinicalTrials
Waldenstrom MacroglobulinemiaD008258EFO:0002616macroglobulinemia1ClinicalTrials
Leukemia, Biphenotypic, AcuteD015456EFO:0000094B-cell acute lymphoblastic leukemia3ClinicalTrials
ClinicalTrials
Lymphoma, Large-Cell, AnaplasticD017728EFO:0003032anaplastic large cell lymphoma2ClinicalTrials
ClinicalTrials
MedulloblastomaD008527EFO:0002939medulloblastoma3ClinicalTrials
ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma3ClinicalTrials
ClinicalTrials
NeuroblastomaD009447EFO:0000621neuroblastoma3ClinicalTrials
ClinicalTrials
Precursor T-Cell Lymphoblastic Leukemia-LymphomaD054218EFO:1001830precursor T-cell lymphoblastic leukemia-lymphoma1ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma3ClinicalTrials
Neuroectodermal Tumors, PrimitiveD018242EFO:0005235primitive neuroectodermal tumor3ClinicalTrials
Gestational Trophoblastic DiseaseD031901Orphanet:59305Gestational trophoblastic neoplasm3ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer3ClinicalTrials
ClinicalTrials
LeukemiaD007938EFO:0000565leukemia3ClinicalTrials
ClinicalTrials
Leukemia, Biphenotypic, AcuteD015456EFO:0000209T-cell acute lymphoblastic leukemia3ClinicalTrials
ClinicalTrials
Lymphoma, Mantle-CellD020522EFO:1001469Mantle cell lymphoma3ClinicalTrials
ClinicalTrials
Purpura, Thrombocytopenic, IdiopathicD016553EFO:0007160autoimmune thrombocytopenic purpura2ClinicalTrials
ClinicalTrials
Sarcoma, EwingD012512EFO:0000174Ewing sarcoma3ClinicalTrials
ClinicalTrials
Small Cell Lung CarcinomaD055752EFO:0000702small cell lung carcinoma3ClinicalTrials
Uterine Cervical NeoplasmsD002583EFO:0001061cervical carcinoma3ClinicalTrials
Wilms TumorD009396Orphanet:654Nephroblastoma3ClinicalTrials
Burkitt LymphomaD002051EFO:0000309Burkitts lymphoma2ClinicalTrials
ClinicalTrials
EpendymomaD004806EFO:1000028ependymoma3ClinicalTrials
ClinicalTrials
HemangiomaD006391EFO:1000635hemangioma2ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma3ClinicalTrials
ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
ClinicalTrials
Lymphoma, FollicularD008224EFO:0000096neoplasm of mature B-cells3ClinicalTrials
ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma3ClinicalTrials
ClinicalTrials
Lymphoma, T-Cell, PeripheralD016411EFO:0000211unspecified peripheral T-cell lymphoma3ClinicalTrials
ClinicalTrials
RetinoblastomaD012175Orphanet:790Retinoblastoma3ClinicalTrials
ClinicalTrials
Lymphohistiocytosis, HemophagocyticD051359Orphanet:158038Primary hemophagocytic lymphohistiocytosis2ClinicalTrials
MesotheliomaD008654EFO:0000588mesothelioma3ClinicalTrials
Choroid Plexus NeoplasmsD016545EFO:0007206choroid plexus cancer3ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia3ClinicalTrials
ClinicalTrials
SarcomaD012509EFO:0000691sarcoma3ClinicalTrials
ClinicalTrials
MelanomaD008545EFO:0000756melanoma1ClinicalTrials
Neurofibromatosis 1D009456Orphanet:636Neurofibromatosis type 12ClinicalTrials
Rhabdomyosarcoma, AlveolarD018232EFO:0000248alveolar rhabdomyosarcoma3ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia3ClinicalTrials
ClinicalTrials
LymphomaD008223EFO:0000574lymphoma3ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma3ClinicalTrials
ClinicalTrials
RhabdomyosarcomaD012208EFO:0002918rhabdomyosarcoma3ClinicalTrials
ClinicalTrials
HistiocytomaD051642EFO:0005561histiocytoma3ClinicalTrials
Lymphoproliferative DisordersD0082322ClinicalTrials
AstrocytomaD001254EFO:0002499anaplastic astrocytoma2ClinicalTrials
Immunoblastic LymphadenopathyD007119EFO:0000255angioimmunoblastic T-cell lymphoma2ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome1ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ClinicalTrials
ATC
ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia3ClinicalTrials
ClinicalTrials
Rhabdomyosarcoma, EmbryonalD018233EFO:0000437embryonal rhabdomyosarcoma3ClinicalTrials

Clinical Data

ClinicalTrials.gov VINCRISTINE
The Cochrane Collaboration VINCRISTINE

Metabolites for CHEMBL90555

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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
825 824.3996 3.52 8 171.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 3 2 14 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.1 7.9 5.75 5.2 3 60 0.13

Structural Alerts

There are 8 structural alerts for CHEMBL90555. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01C - PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
L01CA - Vinca alkaloids and analogues
L01CA02 - vincristine

ChemSpider ChemSpider:OGWKCGZFUXNPDA-XQKSVPLYSA-N
DailyMed vincristine sulfate
PubChem SID: 124892473 SID: 144205620 SID: 170465186

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL90555



ACToR 57-22-7 28379-27-3
BindingDB 50139772
Brenda 49472 6613 21719
ChEBI 28445
DrugBank DB00541
eMolecules 30152450
EPA CompTox Dashboard DTXSID1032278
Guide to Pharmacology 6785
Human Metabolome Database HMDB0014681
IBM Patent System ED7F17E8DE5E326AB7AFFBA18C61AED3
KEGG Ligand C07204
Metabolights MTBLC28445
Nikkaji J10.132J
PharmGKB PA451879
PubChem 5978
PubChem: Thomson Pharma 14889382
SureChEMBL SCHEMBL3709
ZINC ZINC000085432549

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