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Compound Detail

CHEMBL5414592

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CCCCCCCCCCCC(=O)Oc1ccc(CCc2cc(OC(=O)CCCCCCCCCCC)cc(OC(=O)CCCCCCCCCCC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5414592
Phase Preclinical
Structure Type MOL
InChI Key PRWHLHGGOAYAJC-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

777.2
MW (Da)
14.95
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.04
QED
2
Ro5 Violations
36
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H80O6
MW 777.18
Aromatic Rings 2
Heavy Atoms 56
NP-Likeness 0.03

Activity Summary

IC50 2 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 MIA PaCa-2 1
36463729 10.1016/j.ejmech.2022.114962 No relevant target 1

Data from ChEMBL 36 via Core Engine