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Compound Detail

CHEMBL5202175

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CC(C)(O)[C@H]1Cc2c(ccc3c2O/C(=C\c2cccs2)C3=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202175
Phase Preclinical
Structure Type MOL
InChI Key LDMJBUCTJFGGJN-CKNOQMABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.44
ALogP
5
HBA
1
HBD
55.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O4S
MW 328.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.47

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