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Compound Detail

CHEMBL4590718

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CCCC/C=C\CCCCCCCc1cccc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4590718
Phase Preclinical
Structure Type MOL
InChI Key OTYINVFQXIKPBE-WAYWQWQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
6.02
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H30O
MW 274.45
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
27008174 10.1021/acs.jnatprod.5b00915 Bcl-xL/BAK 1
27008174 10.1021/acs.jnatprod.5b00915 Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist 1

Data from ChEMBL 36 via Core Engine