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Compound Detail

CHEMBL324723

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CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CS)C(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324723
Phase Preclinical
Structure Type MOL
InChI Key LTWYSAHDLPXJRF-ILXRZTDVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
0.91
ALogP
5
HBA
5
HBD
121.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27N3O4S
MW 381.50
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.02

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Low affinity immunoglobulin epsilon Fc receptor
CHEMBL2940
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Low affinity immunoglobulin epsilon Fc receptor IC50 = 130.0 nM 6.89 Inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM... 9871623

Literature References

PubMed DOI Target Context # Activities
9871623 10.1016/s0960-894x(97)10149-4 Low affinity immunoglobulin epsilon Fc receptor 1
9871623 10.1016/s0960-894x(97)10149-4 Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine