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Compound Detail

CHEMBL2323234

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CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1

Basic Information

ChEMBL ID CHEMBL2323234
Phase Preclinical
Structure Type MOL
InChI Key OCMUDAMSNGDZNB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
3.79
ALogP
8
HBA
1
HBD
90.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O4S2
MW 467.57
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -2.05

Activity Summary

EC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255164
EC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23477365 10.1021/jm400159c Protein-serine O-palmitoleoyltransferase porcupine 1

Data from ChEMBL 36 via Core Engine