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Compound Detail

CHEMBL5290760

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O=C1CC(c2ccc(O)c(Cl)c2)Oc2cc(O)cc(O)c21

Basic Information

ChEMBL ID CHEMBL5290760
Phase Preclinical
Structure Type MOL
InChI Key GOSBDBOXKLAPRA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.7
MW (Da)
3.16
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClO5
MW 306.70
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.39

Activity Summary

Kd 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
Kd 6.39 6.39 403.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin Kd = 403.0 nM 6.39 Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia co... 36472374

Literature References

PubMed DOI Target Context # Activities
36472374 10.1021/acs.jmedchem.2c00511 Transthyretin 6

Data from ChEMBL 36 via Core Engine