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Compound Detail

CHEMBL1829845

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Cc1c(CC(=O)NC(Cc2ccccc2)C(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1829845
Phase Preclinical
Structure Type MOL
InChI Key WZDIRGMBZALEDQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
4.50
ALogP
5
HBA
2
HBD
109.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H27NO6
MW 461.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.28

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21864947 10.1016/j.ejmech.2011.07.032 Unchecked 2
23414143 10.1021/jm3009647 Nuclear factor NF-kappa-B p105 subunit 1

Data from ChEMBL 36 via Core Engine