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Compound Detail

CHEMBL2170711

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COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(NS(C)(=O)=O)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170711
Phase Preclinical
Structure Type MOL
InChI Key VOEPQQVBOOUHLA-GWNOIRNCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

555.6
MW (Da)
2.50
ALogP
9
HBA
3
HBD
140.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO9S
MW 555.61
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
23025805 10.1021/jm3011542 Eukaryotic initiation factor 4A-I 3
23025805 10.1021/jm3011542 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine