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Compound Detail

CHEMBL222068

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O=C1NCc2c1c1c3ccccc3sc1c1sc3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222068
Phase Preclinical
Structure Type MOL
InChI Key CZIPPPSRRVAZPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
5.67
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H11NOS2
MW 345.45
Aromatic Rings 5
Heavy Atoms 24
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 9 2
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 11 1
17266195 10.1021/jm051074u Choline O-acetyltransferase 1

Data from ChEMBL 36 via Core Engine