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Compound Detail

CHEMBL298962

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CC(C)CN(C[C@H](O)[C@@H](/C=C/[C@@H](C[S+]([O-])c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298962
Phase Preclinical
Structure Type MOL
InChI Key WGAXKIBBLQOPDQ-WXODNCMKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

698.0
MW (Da)
4.57
ALogP
7
HBA
3
HBD
152.9
PSA (Ų)
0.09
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H43N3O6S3
MW 697.95
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
12699395 10.1021/jm020537i MT2 1

Data from ChEMBL 36 via Core Engine