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Compound Detail

CHEMBL4875781

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C[C@H]1[C@@H](OCc2cc(CO)cc(C(=O)O)c2)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 CHEMBL4875781
Phase Preclinical
Structure Type MOL
InChI Key DJPBBNSTEJGHDC-WHQVFYJBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
3.60
ALogP
7
HBA
2
HBD
103.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32O8
MW 448.51
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 2.63

Literature References

PubMed DOI Target Context # Activities
34399390 10.1016/j.ejmech.2021.113754 HeLa 1
34399390 10.1016/j.ejmech.2021.113754 K562 1
34399390 10.1016/j.ejmech.2021.113754 HepG2 1
34399390 10.1016/j.ejmech.2021.113754 H322 1

Data from ChEMBL 36 via Core Engine