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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501680
CHEMBL501680
Compound Name BILIRUBIN
ChEMBL Synonyms Bilirubin
Max Phase 0
Trade Names
Molecular Formula C33H36N4O6

Additional synonyms for CHEMBL501680 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(C=C)\C(=C\c2[nH]c(Cc3[nH]c(\C=C\4/NC(=O)C(=C4C)C=C)c(C ...
Download SMILES
Standard InChI InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)2 ...
Download InChI
Standard InChI Key BPYKTIZUTYGOLE-IFADSCNNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL501680

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
584.7 584.2635 5.06 12 164.38 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 3 10 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.62 2.31 1.43 -3.24 2 43 0.2

Structural Alerts

There are 3 structural alerts for CHEMBL501680. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BPYKTIZUTYGOLE-IFADSCNNSA-N
PubChem SID: 26749657
Wikipedia Bilirubin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501680



BindingDB 50442897
Brenda 105594 105593 599
ChEBI 16990
eMolecules 481780
EPA CompTox Dashboard DTXSID90239827
FDA SRS RFM9X3LJ49
Guide to Pharmacology 4577
Human Metabolome Database HMDB0000054 HMDB0000488
KEGG Ligand C00486
Metabolights MTBLC16990
MolPort MolPort-000-771-191
Nikkaji J60.126H J674.476A
PDBe BLR
PharmGKB PA166123346
PubChem 5280352
PubChem: Thomson Pharma 14935827
SureChEMBL SCHEMBL19065
ZINC ZINC000018007499

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