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Compound Detail

CHEMBL3753294

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CC(=O)N[C@@H](CSC(=S)Nc1cccc(NC(=S)SC[C@H](NC(C)=O)C(=O)O)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL3753294
Phase Preclinical
Structure Type MOL
InChI Key DJDPJXVXVFRQII-KBPBESRZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

518.7
MW (Da)
1.73
ALogP
8
HBA
6
HBD
156.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O6S4
MW 518.66
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.42

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26639764 10.1016/j.bmcl.2015.11.045 LoVo 1
26639764 10.1016/j.bmcl.2015.11.045 NON-PROTEIN TARGET 1
26639764 10.1016/j.bmcl.2015.11.045 Histone deacetylase 1
26639764 10.1016/j.bmcl.2015.11.045 BALB/3T3 1

Data from ChEMBL 36 via Core Engine