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Compound Detail

CHEMBL156844

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CC(NC(=O)C(N)Cc1ccc(OCc2ccccc2)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL156844
Phase Preclinical
Structure Type MOL
InChI Key FRARORKJJWBZPY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
1.72
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O4
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.18

Activity Summary

Ki 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 15 member 1
CHEMBL4605
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 15 member 1 Ki = 10000.0 nM 5.0 Inhibition constant (Ki) for human intestinal peptide carrier 14667225

Literature References

PubMed DOI Target Context # Activities
14667225 10.1021/jm030976x Solute carrier family 15 member 1 1

Data from ChEMBL 36 via Core Engine