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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1933702
CHEMBL1933702
Compound Name NARDOSINONE
ChEMBL Synonyms Nardosinone
Max Phase 0
Trade Names
Molecular Formula C15H22O3

Additional synonyms for CHEMBL1933702 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CCC=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@@]12C
Standard InChI InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2 ...
Download InChI
Standard InChI Key KXGHHSIMRWPVQM-JWFUOXDNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1933702

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
250.3 250.1569 3.05 0 35.53 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.12 2.12 0 18 0.62

Structural Alerts

There are 9 structural alerts for CHEMBL1933702. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KXGHHSIMRWPVQM-JWFUOXDNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1933702



ACToR 23720-80-1
MolPort MolPort-027-720-894
Nikkaji J16.437B
PubChem 168136
PubChem: Thomson Pharma 14971162
ZINC ZINC000070454234

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