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Compound Detail

CHEMBL5418811

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COc1ccc(-c2cc3cc(OC)cc(OC)c3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5418811
Phase Preclinical
Structure Type MOL
InChI Key XBVPXPYQSCQLPT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
3.86
ALogP
3
HBA
1
HBD
43.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO3
MW 283.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36463729 10.1016/j.ejmech.2022.114962 HT-29 1
36463729 10.1016/j.ejmech.2022.114962 No relevant target 1

Data from ChEMBL 36 via Core Engine