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Compound Detail

CHEMBL457707

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COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457707
Phase Preclinical
Structure Type MOL
InChI Key PFJMENUJRILQMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
4.00
ALogP
9
HBA
0
HBD
99.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N6O3S
MW 420.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.68

Literature References

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

Data from ChEMBL 36 via Core Engine