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Compound Detail

CHEMBL5570411

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C=C1C(=O)O[C@H]2[C@H]1C(COC(=O)c1ccccc1C(=O)O)C/C=C\CC[C@@]1(C)O[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5570411
Phase Preclinical
Structure Type MOL
InChI Key MAKBKUXAXZXLGQ-KOPXDSRFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
3.15
ALogP
6
HBA
1
HBD
102.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O7
MW 412.44
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.95

Literature References

PubMed DOI Target Context # Activities
38104376 10.1016/j.ejmech.2023.116024 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine