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Compound Detail

CHEMBL5597339

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Cc1cc(O)c2c3c1C(=O)[C@@H]1C4=C(C(=O)c5cn(CCO)c(=O)c6c(O)cc(C)c4c56)[C@@]3(COC2=O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5597339
Phase Preclinical
Structure Type MOL
InChI Key UBNSLKJDCYIINB-ATZAZFCXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

515.5
MW (Da)
1.27
ALogP
10
HBA
4
HBD
163.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21NO9
MW 515.47
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.98

Literature References

PubMed DOI Target Context # Activities
39033406 10.1021/acs.jnatprod.4c00330 B-cell line 1
39033406 10.1021/acs.jnatprod.4c00330 T-cell 1

Data from ChEMBL 36 via Core Engine