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Compound Detail

CHEMBL5769571

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NCCOCCOCCOc1c(Cl)cc(Nc2ccccc2C(=O)O)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5769571
Phase Preclinical
Structure Type MOL
InChI Key QEUUBUWXGRZBDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.3
MW (Da)
3.81
ALogP
6
HBA
3
HBD
103.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22Cl2N2O5
MW 429.30
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.80

Activity Summary

Kd 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
 Kd 6.54 6.54 285.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin Kd = 285.0 nM 6.54 Determination of Binding Constants of HITS to TTR: Dissociation Constants (Kd) a... -

Data from ChEMBL 36 via Core Engine