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Compound Detail

CHEMBL2324279

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COc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3OC)SCC4)sc2c1

Basic Information

ChEMBL ID CHEMBL2324279
Phase Preclinical
Structure Type MOL
InChI Key UDVOQFFPOIBXOR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.6
MW (Da)
4.24
ALogP
10
HBA
1
HBD
95.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O4S3
MW 512.64
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.41

Activity Summary

EC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255164
EC50 7.3 7.3 50.0 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