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Compound Detail

CHEMBL5595745

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O=C(O)c1ccc(N(Cc2cnc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(Cl)c(F)c2F)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5595745
Phase Preclinical
Structure Type MOL
InChI Key XTLUEEWIMLXOGL-LJQANCHMSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

657.0
MW (Da)
5.13
ALogP
7
HBA
2
HBD
141.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25ClF4N4O6S
MW 657.04
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -1.03

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
38008341 10.1016/j.bmcl.2023.129565 Signal transducer and activator of transcription 3 3

Data from ChEMBL 36 via Core Engine