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Compound Detail

CHEMBL5191202

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C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)OCc3cnc4ccccc4c3)C[C@H]2[C@H](O)/C=C/C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5191202
Phase Preclinical
Structure Type MOL
InChI Key ZWVTVCGHRUPBFJ-RGCSXRLASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
4.87
ALogP
7
HBA
1
HBD
95.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31NO6
MW 465.55
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.24

Literature References

PubMed DOI Target Context # Activities
36089748 10.1021/acs.jmedchem.2c00532 HepG2 1

Data from ChEMBL 36 via Core Engine