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Compound Detail

CHEMBL5435236

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C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]2(C(=O)OC)[C@@H](CCOCCc2ccccc2)[C@@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435236
Phase Preclinical
Structure Type MOL
InChI Key ZKLNGNDXBXPIKC-DEZOOYPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
3.91
ALogP
6
HBA
1
HBD
90.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H37NO6
MW 519.64
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.24

Literature References

PubMed DOI Target Context # Activities
38283219 10.1039/d3md00535f Unchecked 1
38283219 10.1039/d3md00535f MRC5 1

Data from ChEMBL 36 via Core Engine