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Compound Detail

CHEMBL4858984

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N#Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc(Br)cc2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858984
Phase Preclinical
Structure Type MOL
InChI Key BBUHRLJLUFLRCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

432.3
MW (Da)
4.32
ALogP
4
HBA
1
HBD
82.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11BrFN3O2S
MW 432.27
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
33360794 10.1016/j.ejmech.2020.113117 MCF7 1
33360794 10.1016/j.ejmech.2020.113117 Unchecked 1
33360794 10.1016/j.ejmech.2020.113117 BT-474 1
33360794 10.1016/j.ejmech.2020.113117 SK-BR-3 1
33360794 10.1016/j.ejmech.2020.113117 RKO 1
33360794 10.1016/j.ejmech.2020.113117 SW-620 1
33360794 10.1016/j.ejmech.2020.113117 SW480 1
33360794 10.1016/j.ejmech.2020.113117 PANC-1 1
33360794 10.1016/j.ejmech.2020.113117 SGC-7901 1

Data from ChEMBL 36 via Core Engine