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Compound Detail

CHEMBL4590717

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CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccoc4)[C@@H](OC(C)=O)C[C@]32O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4590717
Phase Preclinical
Structure Type MOL
InChI Key UMCXUFJTXHEWKU-XCLXLVQHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
5.08
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38O5
MW 430.59
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 2.76

Literature References

PubMed DOI Target Context # Activities
31325787 10.1016/j.ejmech.2019.07.028 CCRF-CEM 2
31325787 10.1016/j.ejmech.2019.07.028 MCF7 1
31325787 10.1016/j.ejmech.2019.07.028 HeLa 1
31325787 10.1016/j.ejmech.2019.07.028 A2780 1
31325787 10.1016/j.ejmech.2019.07.028 Hep 3B2 1
31325787 10.1016/j.ejmech.2019.07.028 BJ 1
31325787 10.1016/j.ejmech.2019.07.028 Sodium/potassium-transporting ATPase 1

Data from ChEMBL 36 via Core Engine