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Compound Detail

CHEMBL2170712

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

Basic Information

ChEMBL ID CHEMBL2170712
Phase Preclinical
Structure Type MOL
InChI Key JMJMNCVXVBQMLE-BIKHGDPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
2.83
ALogP
8
HBA
3
HBD
131.8
PSA (Ų)
0.43
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 C28H26O9
MW 506.51
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 1.40

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