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Compound Detail

CHEMBL2333195

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COc1ccc(/C(=N/NC(N)=S)c2cccc(C)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333195
Phase Preclinical
Structure Type MOL
InChI Key CPQBFISFWPXXRL-JXAWBTAJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
1.98
ALogP
4
HBA
2
HBD
72.5
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 C15H16N4OS
MW 300.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.51

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