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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL46618
CHEMBL46618
Compound Name OTAMIXABAN
ChEMBL Synonyms OTAMIXABAN
Max Phase 3
Trade Names
Molecular Formula C25H26N4O4

Additional synonyms for CHEMBL46618 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@H](Cc1cccc(c1)C(=N)N)[C@@H](C)NC(=O)c2ccc(cc2)c3cc ...
Download SMILES
Standard InChI InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17 ...
Download InChI
Standard InChI Key PFGVNLZDWRZPJW-OPAMFIHVSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL46618

Molecule Features

CHEMBL46618 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ACUTE CORONARY SYNDROMED054058EFO:0005672ACUTE CORONARY SYNDROME3ClinicalTrials
CORONARY ARTERY DISEASED003324EFO:0000378CORONARY ARTERY DISEASE2ClinicalTrials
LIVER DISEASESD008107EFO:0001421LIVER DISEASE1ClinicalTrials

Clinical Data

ClinicalTrials.gov OTAMIXABAN
The Cochrane Collaboration OTAMIXABAN

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
446.5 446.1954 1.9 9 130.72 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.38 11.63 .99 -1.01 3 33 0.15

Structural Alerts

There are 9 structural alerts for CHEMBL46618. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PFGVNLZDWRZPJW-OPAMFIHVSA-N
Wikipedia Otamixaban

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL46618



ACToR 193153-04-7
BindingDB 50114539
Brenda 86391 53308
EPA CompTox Dashboard DTXSID40172917
FDA SRS S173RED00L
IBM Patent System AA907B0A7AAA9FD618274ADA4D0FD74D
Nikkaji J1.584.766B
PubChem 5496659
PubChem: Drugs of the Future 123055317
PubChem: Thomson Pharma 14881790 14783943
SureChEMBL SCHEMBL52983
ZINC ZINC000001908051

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