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Compound Detail

CHEMBL5176923

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COc1ccc(/C=C2\Oc3c(ccc4c3C[C@H](C(C)(C)O)O4)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176923
Phase Preclinical
Structure Type MOL
InChI Key SVDLPHCQNRNWDO-DAIOKFOQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.39
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20O5
MW 352.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.04

Literature References

PubMed DOI Target Context # Activities
35671109 10.1021/acs.jnatprod.2c00345 HL-60 1
35671109 10.1021/acs.jnatprod.2c00345 SW480 1

Data from ChEMBL 36 via Core Engine