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Compound Detail

CHEMBL255149

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CO/N=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255149
Phase Preclinical
Structure Type MOL
InChI Key PBXBZXHATJKXMN-ALPANZDKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.4
MW (Da)
5.04
ALogP
2
HBA
0
HBD
21.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27NO
MW 249.40
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.62

Literature References

PubMed DOI Target Context # Activities
18037299 10.1016/j.bmc.2007.11.011 Candida albicans 2

Data from ChEMBL 36 via Core Engine