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Compound Detail

CHEMBL4218173

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COC(=O)c1ccc(F)c(OCCCc2c(C)n[nH]c2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4218173
Phase Preclinical
Structure Type MOL
InChI Key YETRJHDLKRPHGN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
2.96
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19FN2O3
MW 306.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.42

Activity Summary

Kd 1 meas. best 6.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
 Kd 6.59 6.59 258.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin Kd = 258.0 nM 6.59 Binding affinity to transthyretin (unknown origin) by ITC method 30133284

Literature References

PubMed DOI Target Context # Activities
30133284 10.1021/acs.jmedchem.8b00817 Transthyretin 7

Data from ChEMBL 36 via Core Engine