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Compound Detail

CHEMBL401374

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CCNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401374
Phase Preclinical
Structure Type MOL
InChI Key PMNYYANNOUULIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.49
ALogP
6
HBA
2
HBD
66.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4OS2
MW 370.50
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
18055203 10.1016/j.bmcl.2007.11.076 NON-PROTEIN TARGET 2
18055203 10.1016/j.bmcl.2007.11.076 High affinity nerve growth factor receptor 1
18055203 10.1016/j.bmcl.2007.11.076 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine