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Compound Detail

CHEMBL4210685

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CC(C)(C)c1ccc(CCNS(=O)(=O)c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4210685
Phase Preclinical
Structure Type MOL
InChI Key PJXRBWPSBXJQMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.21
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO3S
MW 333.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
29548571 10.1016/j.bmcl.2018.03.019 Estrogen-related receptor gamma 1

Data from ChEMBL 36 via Core Engine