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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201748
CHEMBL1201748
Compound Name CABAZITAXEL
ChEMBL Synonyms Jevtana | JEVTANA KIT | XRP-6258 | CABAZITAXEL
Max Phase 4 (Approved)
Trade Names Jevtana | JEVTANA KIT
Molecular Formula C45H57NO14

Additional synonyms for CHEMBL1201748 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[ ...
Download SMILES
Standard InChI InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-1 ...
Download InChI
Standard InChI Key BMQGVNUXMIRLCK-OAGWZNDDSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1201748

Molecule Features

CHEMBL1201748 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:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Tubulin inhibitor Tubulin DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Penile NeoplasmsD010412EFO:1001094penile neoplasm2ClinicalTrials
Testicular NeoplasmsD013736EFO:0005088testicular carcinoma2ClinicalTrials
Brain NeoplasmsD001932EFO:0003833brain neoplasm1ClinicalTrials
NeoplasmsD009369EFO:0000311cancer4ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Carcinoma, Transitional CellD002295EFO:1000601Transitional Cell Carcinoma2ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme2ClinicalTrials
Adrenocortical CarcinomaD018268EFO:0003093adrenocortical carcinoma2ClinicalTrials
CarcinomaD002277EFO:0000313carcinoma2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000181head and neck squamous cell carcinoma2ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia2ClinicalTrials
Small Cell Lung CarcinomaD055752EFO:0000702small cell lung carcinoma2ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma1ClinicalTrials
LiposarcomaD008080EFO:0003085dedifferentiated liposarcoma2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000196metastatic prostate cancer3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC
ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma3ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma2ClinicalTrials
Ovarian NeoplasmsD010051EFO:0001075ovarian carcinoma2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma3ClinicalTrials
Stomach NeoplasmsD013274EFO:0000178gastric carcinoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov CABAZITAXEL
The Cochrane Collaboration CABAZITAXEL

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
835.9 835.3779 4.57 10 202.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 3 2 15 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.2 - 3.3 3.3 2 60 0.17

Structural Alerts

There are 7 structural alerts for CHEMBL1201748. 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
L01CD - Taxanes
L01CD04 - cabazitaxel

ChemSpider ChemSpider:BMQGVNUXMIRLCK-OAGWZNDDSA-N
Wikipedia Cabazitaxel

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201748



ChEBI 63584
ChemicalBook CB42517227
DrugBank DB06772
DrugCentral 4153
EPA CompTox Dashboard DTXSID40171389
FDA SRS 51F690397J
Guide to Pharmacology 6798
Human Metabolome Database HMDB0015672
IBM Patent System 175EB8CAFB05CF1A21B38F0944F934F1
MolPort MolPort-023-299-439
Nikkaji J2.871.889F
PharmGKB PA165958401
PubChem 9854073
PubChem: Thomson Pharma 16397389 14816121
Selleck cabazitaxel-jevtana
SureChEMBL SCHEMBL179674
ZINC ZINC000085536932

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