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Compound Detail

CHEMBL4569970

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O=C1C(Sc2nc[nH]n2)=C/C(=N\S(=O)(=O)c2ccccc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4569970
Phase Preclinical
Structure Type MOL
InChI Key ZXKPLPGAAWNYEJ-PXLXIMEGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
2.86
ALogP
6
HBA
1
HBD
105.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N4O3S2
MW 396.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fascin
CHEMBL4523304
 IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fascin IC50 = 2000.0 nM 5.7 Inhibition of GST-tagged recombinant human fascin 1 expressed in Escherichia col... -

Data from ChEMBL 36 via Core Engine