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Compound Detail

CHEMBL3351045

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CSC[C@@H]1NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3351045
Phase Preclinical
Structure Type MOL
InChI Key JDANLHDJTVAQQM-STQMWFEESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
1.07
ALogP
4
HBA
2
HBD
63.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O2S
MW 317.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.14

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3656347 10.1021/jm00393a002 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine