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Compound Detail

CHEMBL5438989

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O=C(O)/C=C/c1ccc(Oc2c(C(=O)c3ccc4ccncc4c3)sc3cc(F)ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5438989
Phase Preclinical
Structure Type MOL
InChI Key WLPXDIJQXAWXHW-XCVCLJGOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
6.71
ALogP
5
HBA
1
HBD
76.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H16FNO4S
MW 469.49
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
37019030 10.1016/j.ejmech.2023.115324 MCF7 1
37019030 10.1016/j.ejmech.2023.115324 Ishikawa 1
37019030 10.1016/j.ejmech.2023.115324 Unchecked 1

Data from ChEMBL 36 via Core Engine