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Compound Detail

CHEMBL3196345

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CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL3196345
Phase Preclinical
Structure Type MOL
InChI Key KYSFXQOZNRWVLN-MSUUIHNZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.34
ALogP
4
HBA
0
HBD
49.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O2S
MW 296.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.19 5.19 6460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6460.0 nM 5.19 PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... -

Data from ChEMBL 36 via Core Engine