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Compound Detail

CHEMBL2333198

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C=CCNC(=S)N/N=C(/c1ccc(OC)cc1)c1cccc(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333198
Phase Preclinical
Structure Type MOL
InChI Key NHJRDHHABTZJOJ-FXBPSFAMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.80
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.37
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 C18H20N4OS
MW 340.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
23312948 10.1016/j.bmcl.2012.12.044 SK-N-MC 3
23312948 10.1016/j.bmcl.2012.12.044 MRC5 1

Data from ChEMBL 36 via Core Engine