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Compound Detail

CHEMBL2170705

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COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(O[C@H]4CN(C)C[C@@H](CO)O4)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170705
Phase Preclinical
Structure Type MOL
InChI Key CQOOLIUECQEFKP-CVGIZIDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

607.7
MW (Da)
2.15
ALogP
11
HBA
3
HBD
136.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H37NO10
MW 607.66
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness 1.44

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