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Compound Detail

CHEMBL174379

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COC(=O)CC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174379
Phase Preclinical
Structure Type MOL
InChI Key HROUCKBOKAXXIU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

451.4
MW (Da)
-2.30
ALogP
10
HBA
5
HBD
211.4
PSA (Ų)
0.18
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N3O10S
MW 451.45
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.39

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10853673 10.1016/s0960-894x(00)00142-6 Glutathione S-transferase A2 1
10853673 10.1016/s0960-894x(00)00142-6 Glutathione S-transferase P 1
10853673 10.1016/s0960-894x(00)00142-6 Unchecked 1

Data from ChEMBL 36 via Core Engine