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Compound Detail

CHEMBL4283929

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COc1ccc(NC(=S)N/N=C/c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4283929
Phase Preclinical
Structure Type MOL
InChI Key MQPIPHAAKGFVCN-LICLKQGHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.8
MW (Da)
3.67
ALogP
3
HBA
2
HBD
45.6
PSA (Ų)
0.51
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 C15H14ClN3OS
MW 319.82
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.06

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