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Compound Detail

CHEMBL5646649

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COc1ccc(Cn2cc(-c3ccccc3)c3ccnc(-c4cccc([N+](=O)[O-])c4)c32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5646649
Phase Preclinical
Structure Type MOL
InChI Key MDGPVPCLJJJPGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
6.34
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21N3O3
MW 435.48
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
37729693 10.1016/j.ejmech.2023.115804 A-431 1
37729693 10.1016/j.ejmech.2023.115804 HT-1080 1
37729693 10.1016/j.ejmech.2023.115804 MCF7 1
37729693 10.1016/j.ejmech.2023.115804 MDA-MB-231 1
37729693 10.1016/j.ejmech.2023.115804 AG1523 1

Data from ChEMBL 36 via Core Engine