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Compound Detail

CHEMBL5431222

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COC(=O)[C@@]12C(=O)N[C@@H](Cc3ccccc3)[C@@H]1C(C)=C(C)[C@@H](OC(C)=O)[C@@H]2CCOCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431222
Phase Preclinical
Structure Type MOL
InChI Key JZSPOYFIQYFIST-ZSSFXJDQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
4.05
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 1.00

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