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Compound Detail

CHEMBL4460883

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COc1ccc(-c2nc3cnccc3n2-c2cc(OC)c(OC)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460883
Phase Preclinical
Structure Type MOL
InChI Key NHFLLQOBSSALSZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.83
ALogP
8
HBA
1
HBD
87.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O5
MW 407.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.47

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