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Compound Detail

CHEMBL211546

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N#Cc1c(O)nsc1NCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211546
Phase Preclinical
Structure Type MOL
InChI Key SLAVGQHOHVLIRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
2.37
ALogP
5
HBA
2
HBD
68.9
PSA (Ų)
0.87
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 C12H11N3OS
MW 245.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
16725322 10.1016/j.bmcl.2006.05.019 Dual specificity mitogen-activated protein kinase kinase 1 1

Data from ChEMBL 36 via Core Engine