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Compound Detail

CHEMBL5438849

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CC(C)(Oc1cccc(C2CCCN(C(=O)OCc3ccc4ccccc4c3)C2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5438849
Phase Preclinical
Structure Type MOL
InChI Key FBDSDVMDPLAPNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
5.60
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO5
MW 447.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
36630177 10.1021/acs.jmedchem.2c01568 beta-catenin-B-cell lymphoma 9 protein complex 2

Data from ChEMBL 36 via Core Engine