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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104408
CHEMBL2104408
Compound Name BOLAZINE
ChEMBL Synonyms BOLAZINE
Max Phase 0
Trade Names
Molecular Formula C40H64N2O2

Additional synonyms for CHEMBL2104408 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)C ...
Download SMILES
Standard InChI InChI=1S/C40H64N2O2/c1-23-21-39(5)25(7-9-27-29-11-13-35(43)3 ...
Download InChI
Standard InChI Key BQDZMZRUXNFTQT-KSJDNICASA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2104408

Molecule Features

CHEMBL2104408 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov BOLAZINE
The Cochrane Collaboration BOLAZINE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
605 604.4968 7.85 1 65.18 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.73 10.2 8.37 0 44 0.3

Structural Alerts

There are 3 structural alerts for CHEMBL2104408. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BQDZMZRUXNFTQT-KSJDNICASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104408



FDA SRS 508ISH42Z9
PubChem 20055426
SureChEMBL SCHEMBL929298
ZINC ZINC000008214506

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