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Compound Detail

CHEMBL5414176

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

Basic Information

ChEMBL ID CHEMBL5414176
Phase Preclinical
Structure Type MOL
InChI Key YKRHHDAMWZRFAH-AEYAVTCZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

540.5
MW (Da)
5.13
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34BrNO4
MW 540.50
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.87

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