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Compound Detail

CHEMBL2325510

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O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1nc2ccc(Cl)cc2s1

Basic Information

ChEMBL ID CHEMBL2325510
Phase Preclinical
Structure Type MOL
InChI Key QSYHQHFEUHFBLC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.0
MW (Da)
5.01
ALogP
8
HBA
1
HBD
76.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14ClFN4O2S3
MW 505.02
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.96

Activity Summary

EC50 1 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255164
EC50 6.76 6.76 175.0 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