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Compound Detail

CHEMBL4878793

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C[C@H]1[C@@H](OCCO[C@H]2C[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]34)[C@@]3(C)CC[C@@H](O[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@@]57OO6)C[C@@H]23)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4878793
Phase Preclinical
Structure Type MOL
InChI Key BMJMMHWMMOPJRP-OSMDANPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

969.3
MW (Da)
10.96
ALogP
12
HBA
1
HBD
138.8
PSA (Ų)
0.12
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C56H88O13
MW 969.31
Aromatic Rings 0
Heavy Atoms 69
NP-Likeness 1.96

Literature References

PubMed DOI Target Context # Activities
34399390 10.1016/j.ejmech.2021.113754 HeLa 1
34399390 10.1016/j.ejmech.2021.113754 PC-3 1
34399390 10.1016/j.ejmech.2021.113754 Jurkat 1
34399390 10.1016/j.ejmech.2021.113754 786-0 1
34399390 10.1016/j.ejmech.2021.113754 MCF7 1

Data from ChEMBL 36 via Core Engine