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Compound Detail

CHEMBL4290703

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Cc1ccc(NC(=S)N/N=C/c2ccc(N(C)C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290703
Phase Preclinical
Structure Type MOL
InChI Key YHHMOFBXKAZYNE-LDADJPATSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.38
ALogP
3
HBA
2
HBD
39.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4S
MW 312.44
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.16

Literature References

PubMed DOI Target Context # Activities
30389409 10.1016/j.bmc.2018.10.030 Low molecular weight protein-tyrosine phosphatase A 2

Data from ChEMBL 36 via Core Engine