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Compound Detail

CHEMBL213351

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Cc1cccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213351
Phase Preclinical
Structure Type MOL
InChI Key TWQIHXFRVKMKFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
4.21
ALogP
6
HBA
1
HBD
55.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N5S
MW 321.41
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -2.48

Literature References

PubMed DOI Target Context # Activities
16698266 10.1016/j.bmcl.2006.04.042 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 2

Data from ChEMBL 36 via Core Engine