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Compound Detail

CHEMBL5647225

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COc1ccc(CCC(=O)Nc2cc(-c3ccnc(N4CCC(O)CC4)c3)ccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5647225
Phase Preclinical
Structure Type MOL
InChI Key JWFUKHGBSPVQQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
3.68
ALogP
6
HBA
2
HBD
87.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O3
MW 432.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
37837671 10.1016/j.ejmech.2023.115858 MDA-MB-231 1
37837671 10.1016/j.ejmech.2023.115858 L02 1
37837671 10.1016/j.ejmech.2023.115858 A549 1
37837671 10.1016/j.ejmech.2023.115858 HeLa 1
37837671 10.1016/j.ejmech.2023.115858 Unchecked 1

Data from ChEMBL 36 via Core Engine