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Compound Detail

CHEMBL5597867

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N#Cc1ccc(COc2ccc(C/C(=N\O)C(=O)NC3CSSC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5597867
Phase Preclinical
Structure Type MOL
InChI Key APNKQBRMJFJLSW-FCDQGJHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.39
ALogP
7
HBA
2
HBD
94.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O3S2
MW 413.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
38851056 10.1016/j.ejmech.2024.116541 HCT-116 1
38851056 10.1016/j.ejmech.2024.116541 EBC-1 1
38851056 10.1016/j.ejmech.2024.116541 NCI-H1581 1

Data from ChEMBL 36 via Core Engine