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Compound Detail

CHEMBL403343

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Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403343
Phase Preclinical
Structure Type MOL
InChI Key RMPUYTVQLZBLCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
5.67
ALogP
6
HBA
2
HBD
66.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4OS2
MW 432.57
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
18055203 10.1016/j.bmcl.2007.11.076 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine