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Compound Detail

CHEMBL5405728

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COC(=O)[C@@]12C(=O)N[C@@H](Cc3ccccc3)[C@@H]1[C@H](C)[C@@](C)(O)[C@@H](O)[C@@H]2CCOCCc1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5405728
Phase Preclinical
Structure Type MOL
InChI Key ZEXBXWOSZHWECJ-ZXVPGYEFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

525.6
MW (Da)
2.54
ALogP
7
HBA
3
HBD
114.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39NO7
MW 525.64
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.06

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