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Compound Detail

CHEMBL4437126

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CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4437126
Phase Preclinical
Structure Type MOL
InChI Key LSKXAMXACGFFQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.27
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O2S
MW 328.44
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
32142284 10.1021/acs.jmedchem.9b01979 Deoxyhypusine synthase 1

Data from ChEMBL 36 via Core Engine