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Compound Detail

CHEMBL4288754

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O=C(O)c1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4288754
Phase Preclinical
Structure Type MOL
InChI Key LNGLPUQUJYEYSA-UYWIDEMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
2.97
ALogP
4
HBA
1
HBD
77.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O4S
MW 416.54
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
29232582 10.1016/j.ejmech.2017.12.002 Hepatitis C virus 1
29232582 10.1016/j.ejmech.2017.12.002 Unchecked 1

Data from ChEMBL 36 via Core Engine