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Compound Detail

CHEMBL4574055

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COc1ccc(Nc2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c3sccc3n2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4574055
Phase Preclinical
Structure Type MOL
InChI Key NAJUMTLTFZGWER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
4.41
ALogP
10
HBA
2
HBD
112.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O6S
MW 467.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
31541870 10.1016/j.ejmech.2019.111679 HL-60 1
31541870 10.1016/j.ejmech.2019.111679 HCT-116 1
31541870 10.1016/j.ejmech.2019.111679 A549 1
31541870 10.1016/j.ejmech.2019.111679 MCF7 1
31541870 10.1016/j.ejmech.2019.111679 HeLa 1

Data from ChEMBL 36 via Core Engine