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Compound Detail

CHEMBL5560957

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CCCc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5560957
Phase Preclinical
Structure Type MOL
InChI Key ANFLHRAGJNTIBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
5.07
ALogP
6
HBA
0
HBD
58.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O3
MW 403.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
38996194 10.1021/acs.jmedchem.4c00878 MCF7 1

Data from ChEMBL 36 via Core Engine