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Compound Detail

CHEMBL5563846

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CN1CCN(Cc2ccc(NS(=O)(=O)c3ccc4c(c3)c3ccc(O)cc3n4C)cc2C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563846
Phase Preclinical
Structure Type MOL
InChI Key NLNUASRTJSOZPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
4.60
ALogP
6
HBA
2
HBD
77.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27F3N4O3S
MW 532.59
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
38781920 10.1016/j.ejmech.2024.116509 MDA-MB-231 1
38781920 10.1016/j.ejmech.2024.116509 MIA PaCa-2 1
38781920 10.1016/j.ejmech.2024.116509 NCI-H460 1
38781920 10.1016/j.ejmech.2024.116509 KB 1
38781920 10.1016/j.ejmech.2024.116509 L02 1

Data from ChEMBL 36 via Core Engine