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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL12264
CHEMBL12264
Compound Name SB-258719
ChEMBL Synonyms SB-258719
Max Phase 0
Trade Names
Molecular Formula C18H30N2O2S

Additional synonyms for CHEMBL12264 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c2cccc(C)c2
Standard InChI InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)2 ...
Download InChI
Standard InChI Key AGVNHDNTFYHZNL-QGZVFWFLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL12264

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
338.5 338.2028 3.18 6 49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.36 4.18 2.25 1 23 0.8

Structural Alerts

There are 2 structural alerts for CHEMBL12264. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AGVNHDNTFYHZNL-QGZVFWFLSA-N
Wikipedia SB-258,719

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL12264



BindingDB 50098550
Guide to Pharmacology 281
IBM Patent System 6F75F3BC84B6288C48F704210A4CFDA1
Nikkaji J937.937A
PubChem 5312148
PubChem: Thomson Pharma 14924753
SureChEMBL SCHEMBL2471088
ZINC ZINC000000007275

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