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Compound Detail

CHEMBL5201225

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C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)Nc3ccccc3)C[C@H]2[C@H](O)/C=C/C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201225
Phase Preclinical
Structure Type MOL
InChI Key SASPPMWZTJWONA-QBXJKOOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
4.22
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO5
MW 399.49
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.38

Literature References

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

Data from ChEMBL 36 via Core Engine