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Compound Detail

CHEMBL5183494

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CC(C)(O)[C@H]1Cc2c(ccc3c2O/C(=C\c2ccc(O)c(C(=O)O)c2)C3=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183494
Phase Preclinical
Structure Type MOL
InChI Key BMBHIDJHRFWUHD-QOTSWMAJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
2.78
ALogP
6
HBA
3
HBD
113.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18O7
MW 382.37
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.16

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