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Compound Detail

CHEMBL5563522

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COc1cc(-n2cnc3ccc(Oc4ccc(C)c(N)c4)nc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563522
Phase Preclinical
Structure Type MOL
InChI Key HAGOJXNSYYKMIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
4.13
ALogP
8
HBA
1
HBD
93.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O4
MW 406.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.97

Literature References

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

Data from ChEMBL 36 via Core Engine