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Compound Detail

CHEMBL5549798

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COc1ccc(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5549798
Phase Preclinical
Structure Type MOL
InChI Key SUEYQCZGSAQRPI-MSFOBWSXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
5.98
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35NO3
MW 421.58
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.42

Literature References

PubMed DOI Target Context # Activities
38467086 10.1016/j.ejmech.2024.116296 B16 1

Data from ChEMBL 36 via Core Engine