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Compound Detail

CHEMBL5417839

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COc1ccc(OC)c(-c2cc3ccc(OCc4ccccc4)cc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417839
Phase Preclinical
Structure Type MOL
InChI Key WKZKNARUEZHJGN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
5.43
ALogP
3
HBA
1
HBD
43.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO3
MW 359.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36463729 10.1016/j.ejmech.2022.114962 HCT cell line 3
36463729 10.1016/j.ejmech.2022.114962 COLO 320 3
36463729 10.1016/j.ejmech.2022.114962 SNU-C1 3
36463729 10.1016/j.ejmech.2022.114962 HCT-116 2
36463729 10.1016/j.ejmech.2022.114962 HT-29 1
36463729 10.1016/j.ejmech.2022.114962 No relevant target 1
36463729 10.1016/j.ejmech.2022.114962 RKO 1

Data from ChEMBL 36 via Core Engine