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Compound Detail

CHEMBL457522

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O=[N+]([O-])c1cc(Cl)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457522
Phase Preclinical
Structure Type MOL
InChI Key KKBONOZNSPCVJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.9
MW (Da)
4.65
ALogP
8
HBA
0
HBD
90.0
PSA (Ų)
0.35
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 C19H13ClN6O2S
MW 424.87
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
18975927 10.1021/jm800743q Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine