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Compound Detail

CHEMBL4210337

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CCOC(=O)c1cn2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4210337
Phase Preclinical
Structure Type MOL
InChI Key XLFHKJJWSGETDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
3.52
ALogP
8
HBA
1
HBD
111.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19FN4O5S
MW 470.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
28800461 10.1016/j.ejmech.2017.07.074 HCT-116 1
28800461 10.1016/j.ejmech.2017.07.074 SK-HEP1 1
28800461 10.1016/j.ejmech.2017.07.074 MDA-MB-231 1
28800461 10.1016/j.ejmech.2017.07.074 SNU-638 1
28800461 10.1016/j.ejmech.2017.07.074 A549 1

Data from ChEMBL 36 via Core Engine