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Compound Detail

CHEMBL4776668

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Cc1ccc(/C=C2/SC(Nc3cc(C)on3)=NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4776668
Phase Preclinical
Structure Type MOL
InChI Key LWCHVDHIRMUVPW-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.37
ALogP
5
HBA
1
HBD
67.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3O2S
MW 299.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
33065442 10.1016/j.bmc.2020.115674 HCT-116 1
33065442 10.1016/j.bmc.2020.115674 MCF7 1
33065442 10.1016/j.bmc.2020.115674 HepG2 1
33065442 10.1016/j.bmc.2020.115674 No relevant target 1

Data from ChEMBL 36 via Core Engine