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Compound Detail

CHEMBL3403526

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COC(=O)c1ccc2cc(NS(=O)(=O)c3ccc(NC(=N)N)cc3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3403526
Phase Preclinical
Structure Type MOL
InChI Key ZQUIVBSSFRAUHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.73
ALogP
5
HBA
4
HBD
134.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O4S
MW 398.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
25882520 10.1016/j.bmc.2015.03.072 Hepatocyte growth factor activator 1

Data from ChEMBL 36 via Core Engine