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Compound Detail

CHEMBL1471916

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Fc1ccc(CSc2nnc(-c3ccncc3)o2)cc1

Basic Information

ChEMBL ID CHEMBL1471916
Phase Preclinical
Structure Type MOL
InChI Key IFQJLGWWSDEDCY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.56
ALogP
5
HBA
0
HBD
51.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10FN3OS
MW 287.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.31

Activity Summary

IC50 3 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.57 5.57 2695.0 1
Nuclear receptor coactivator 1
CHEMBL1615387
IC50 5.22 5.22 6060.0 1
Tegument protein VP16
CHEMBL4218
IC50 5.11 5.11 7851.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24560539 10.1016/j.bmcl.2014.01.078 Fibroblast 1

Data from ChEMBL 36 via Core Engine