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Compound Detail

CHEMBL2079131

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CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cccnc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079131
Phase Preclinical
Structure Type MOL
InChI Key YJHAQNMEDLAMGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.51
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.78
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 C17H17N3O2S
MW 327.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
28442261 10.1016/j.bmc.2017.04.014 No relevant target 1

Data from ChEMBL 36 via Core Engine