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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273676
CHEMBL273676
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H46N4O17

Additional synonyms for CHEMBL273676 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(=O)O)c4CC(=O)O)c(C ...
Download SMILES
Standard InChI InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)5 ...
Download InChI
Standard InChI Key WDFJYRZCZIUBPR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL273676

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
854.8 854.2858 3.23 27 381.79 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
17 13 3 21 13 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.33 1.39 -5.81 -16.55 4 61 0.04

Structural Alerts

There are 6 structural alerts for CHEMBL273676. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDFJYRZCZIUBPR-UHFFFAOYSA-N
Wikipedia Hydroxymethylbilane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273676



ACToR 71861-60-4
Brenda 2845 128355 96618
ChEBI 16645
Human Metabolome Database HMDB0001137
IBM Patent System C61DA775A34748DBBF46E8B90E1321E0 6FD9DB162F4C1B710017867905E7170E
KEGG Ligand C01024
Metabolights MTBLC16645
Nikkaji J618.630K
PubChem 788
PubChem: Thomson Pharma 16819653
SureChEMBL SCHEMBL18547975
ZINC ZINC000096014964

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