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Compound Detail

CHEMBL2170554

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

Basic Information

ChEMBL ID CHEMBL2170554
Phase Preclinical
Structure Type MOL
InChI Key GFOFSZZGBBJUPO-XCRMWBDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

533.6
MW (Da)
2.83
ALogP
8
HBA
2
HBD
114.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31NO8
MW 533.58
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.95

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