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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

Structural Alerts

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

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL12264



BindinDB 50098550
Guide to Pharmacology 281
IBM Patent System 6F75F3BC84B6288C48F704210A4CFDA1
IBM Patents WO2002036554A2 WO2008013556A1 US20060063932 EP1339677B1 WO2002036560A1 EP0883613A1 EP1332127A2 EP2052251A1 US20040044037 US20040039044 WO1997029097A1 EP1339677A1
Nikkaji J937.937A
PubChem 5312148
PubChem: Thomson Pharma 14924753
SureChEMBL SCHEMBL2471088

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