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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL281398
CHEMBL281398
Compound Name TERBOGREL
ChEMBL Synonyms TERBOGREL | BIBV 308 SE
Max Phase 2
Trade Names
Molecular Formula C23H27N5O2

Additional synonyms for CHEMBL281398 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)\N=C(/NC#N)\Nc1cccc(c1)\C(=C/CCCC(=O)O)\c2cccnc2
Standard InChI InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17 ...
Download InChI
Standard InChI Key XUTLOCQNGLJNSA-RGVLZGJSSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL281398

Molecule Features

CHEMBL281398 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule 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
HYPERTENSION, PULMONARYD006976EFO:0001361PULMONARY HYPERTENSION2ClinicalTrials

Clinical Data

ClinicalTrials.gov TERBOGREL
The Cochrane Collaboration TERBOGREL

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
405.5 405.2165 3.44 10 110.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.66 5.16 3.14 .47 2 30 0.18

Structural Alerts

There are 8 structural alerts for CHEMBL281398. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XUTLOCQNGLJNSA-RGVLZGJSSA-N
Wikipedia Terbogrel

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL281398



ACToR 149979-74-8
Brenda 118653
DrugBank DB12204
FDA SRS 5Z4KWQ5OGN
Nikkaji J943.175F
PubChem 6449876
PubChem: Thomson Pharma 14855065 15851354
SureChEMBL SCHEMBL42848
ZINC ZINC000011726169

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