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Compound Detail

CHEMBL2348291

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CS(=O)(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1

Basic Information

ChEMBL ID CHEMBL2348291
Phase Preclinical
Structure Type MOL
InChI Key WFHWLCVJBVCKQV-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

588.2
MW (Da)
2.81
ALogP
5
HBA
3
HBD
101.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18I2N2O4S
MW 588.21
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.09

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proliferating cell nuclear antigen
CHEMBL2346488
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23395113 10.1016/j.bmc.2013.01.022 Proliferating cell nuclear antigen 5
23395113 10.1016/j.bmc.2013.01.022 HeLa 1

Data from ChEMBL 36 via Core Engine