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Compound Detail

CHEMBL3775253

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O=C1COc2ccc(S(=O)(=O)N(Cc3cccnc3)c3ccc(F)cc3)cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3775253
Phase Preclinical
Structure Type MOL
InChI Key HLSUJBWPGQXSOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
2.95
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.69
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 C20H16FN3O4S
MW 413.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
26897089 10.1016/j.bmc.2016.02.014 Mineralocorticoid receptor 2

Data from ChEMBL 36 via Core Engine