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Compound Detail

CHEMBL5928490

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Cc1oc(/C=C/c2occc2Cl)cc1C(=O)O

Basic Information

ChEMBL ID CHEMBL5928490
Phase Preclinical
Structure Type MOL
InChI Key MIKLHKPQEFLMJR-NSCUHMNNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

252.7
MW (Da)
3.70
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9ClO4
MW 252.65
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
IC50 5.6 5.6 2490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin IC50 = 2490.0 nM 5.6 In vitro evaluation of inhibitory activity against WT-TTR: In vitro evaluation o... -

Data from ChEMBL 36 via Core Engine