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Compound Detail

CHEMBL1162375

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CC(=O)OCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Basic Information

ChEMBL ID CHEMBL1162375
Phase Preclinical
Structure Type MOL
InChI Key LCHZLYBVLSTZHO-HAVQNGBESA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

705.9
MW (Da)
0.93
ALogP
10
HBA
6
HBD
215.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H59N5O9
MW 705.89
Aromatic Rings 0
Heavy Atoms 50
NP-Likeness 1.34

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18805690 10.1016/j.bmcl.2008.09.013 Candida albicans 2
18805690 10.1016/j.bmcl.2008.09.013 Escherichia coli 2
18805690 10.1016/j.bmcl.2008.09.013 MCF7 2
18805690 10.1016/j.bmcl.2008.09.013 HEK293 2
18805690 10.1016/j.bmcl.2008.09.013 Cryptococcus neoformans 1
18805690 10.1016/j.bmcl.2008.09.013 Benjaminiella poitrasii 1
18805690 10.1016/j.bmcl.2008.09.013 Yarrowia lipolytica 1
18805690 10.1016/j.bmcl.2008.09.013 Fusarium oxysporum 1
18805690 10.1016/j.bmcl.2008.09.013 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine