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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 0
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

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL281398

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

Compound Cross References

ChemSpider ChemSpider:XUTLOCQNGLJNSA-RGVLZGJSSA-N
Wikipedia Terbogrel

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL281398



ACToR 149979-74-8
FDA SRS 5Z4KWQ5OGN
Nikkaji J943.175F
PubChem 6449876
PubChem: Thomson Pharma 14855065 15851354
SureChEMBL SCHEMBL42848

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