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Compound Detail

CHEMBL4552113

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COc1ccc(-c2cncc3[nH]c(=O)n(Cc4cc(OC)c(OC)c(OC)c4)c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4552113
Phase Preclinical
Structure Type MOL
InChI Key UBIZZBHVNIFXOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
3.47
ALogP
7
HBA
1
HBD
87.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O5
MW 421.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
31185410 10.1016/j.ejmech.2019.05.072 A2780 1
31185410 10.1016/j.ejmech.2019.05.072 HeLa 1
31185410 10.1016/j.ejmech.2019.05.072 HCT-116 1
31185410 10.1016/j.ejmech.2019.05.072 A549 1

Data from ChEMBL 36 via Core Engine