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Compound Detail

CHEMBL3754758

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CCCCNC(=S)SC[C@H](NC(C)=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754758
Phase Preclinical
Structure Type MOL
InChI Key BINHXWIZKQSGHU-QMMMGPOBSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
0.98
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H18N2O3S2
MW 278.40
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.29

Activity Summary

IC50 6 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
29945793 10.1016/j.bmcl.2018.06.042 LoVo 1
29945793 10.1016/j.bmcl.2018.06.042 Unchecked 1

Data from ChEMBL 36 via Core Engine