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Compound Detail

CHEMBL5398254

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

Basic Information

ChEMBL ID CHEMBL5398254
Phase Preclinical
Structure Type MOL
InChI Key LAJZQSSNWKIUNI-TYXVARKXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
3.58
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35NO5
MW 477.60
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 1.28

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