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Compound Detail

CHEMBL213847

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N#Cc1c(O)nsc1Nc1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213847
Phase Preclinical
Structure Type MOL
InChI Key ICKUVISRLSNBKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
1.86
ALogP
6
HBA
2
HBD
81.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6N4OS
MW 218.24
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -2.11

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