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Compound Detail

CHEMBL5571033

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

Basic Information

ChEMBL ID CHEMBL5571033
Phase Preclinical
Structure Type MOL
InChI Key MPNMAHMKKGITHT-MZGOFVSHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
2.40
ALogP
6
HBA
1
HBD
102.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26O7
MW 378.42
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.18

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