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Compound Detail

CHEMBL2367757

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C=C1C[C@H](CN2CC[C@]3(C)c4cc(O)ccc4C[C@@H]2[C@@H]3C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2367757
Phase Preclinical
Structure Type MOL
InChI Key FXAWKCNYVHSHJZ-ULPLZVRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.79
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25NO3
MW 327.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.09

Literature References

PubMed DOI Target Context # Activities
1652019 10.1021/jm00112a019 Unchecked 1

Data from ChEMBL 36 via Core Engine