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Compound Detail

CHEMBL468448

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C=C1C(C)=Cc2c(O)c(C)c(CCO)c(C)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468448
Phase Preclinical
Structure Type MOL
InChI Key VIUCKWTVRVCLOK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
2.97
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.82
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 C15H18O2
MW 230.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 2.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12608875 10.1021/np0204085 HL-60 1

Data from ChEMBL 36 via Core Engine