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Compound Detail

CHEMBL1173554

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O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1ccn(S(=O)(=O)c3ccccc3)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1173554
Phase Preclinical
Structure Type MOL
InChI Key BQIWMBLZDYLTOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
3.01
ALogP
6
HBA
1
HBD
106.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N2O5S2
MW 466.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
20627596 10.1016/j.bmc.2010.04.080 Jurkat 2
20627596 10.1016/j.bmc.2010.04.080 K562 2
20627596 10.1016/j.bmc.2010.04.080 LoVo 2
20627596 10.1016/j.bmc.2010.04.080 MCF7 2
20627596 10.1016/j.bmc.2010.04.080 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine