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Compound Detail

CHEMBL4644688

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COc1ccc(CCn2c(SCc3cn(Cc4ccc(Br)cc4)nn3)nc3ccccc3c2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644688
Phase Preclinical
Structure Type MOL
InChI Key GVGDAWWJNZWTFM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

592.5
MW (Da)
5.35
ALogP
9
HBA
0
HBD
84.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26BrN5O3S
MW 592.52
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.66

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
32008883 10.1016/j.bmc.2019.115263 Unchecked 1
36680985 10.1016/j.ejmech.2023.115119 Alpha-glucosidase 1

Data from ChEMBL 36 via Core Engine