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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL59030
CHEMBL59030
Compound Name
ChEMBL Synonyms GW-3965
Max Phase 0
Trade Names
Molecular Formula C33H31ClF3NO3

Additional synonyms for CHEMBL59030 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c3ccccc3)Cc4cccc(c4Cl)C(F)(F ...
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Standard InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)2 ...
Download InChI
Standard InChI Key NAXSRXHZFIBFMI-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL59030

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
582.1 581.1945 8.09 13 49.77 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 2 4 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.18 7.06 7.11 4.3 4 41 0.16

Structural Alerts

There are 3 structural alerts for CHEMBL59030. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NAXSRXHZFIBFMI-UHFFFAOYSA-N
PubChem SID: 124892359 SID: 26755460

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL59030



ACToR 405911-09-3
BindingDB 19992
ChEBI 79995
DrugBank DB03791
FDA SRS 6JI5YOG7RC
Guide to Pharmacology 2754
IBM Patent System AE1C5334561B4218219B7E5358B674C7
KEGG Ligand C15631
LINCS LSM-2738
MolPort MolPort-019-879-141
PDBe 965
PubChem 72199895 447905
PubChem: Thomson Pharma 14911410
SureChEMBL SCHEMBL2110041
ZINC ZINC000003966253

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