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Compound Detail

CHEMBL9589

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CCN(c1nc(C)cc(-c2ccccc2[N+](C)(C)C)n1)c1ccc(C(C)C)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL9589
Phase Preclinical
Structure Type MOL
InChI Key BAFMTZGWSZWBGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
6.69
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32BrN4+
MW 468.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
10230640 10.1016/s0960-894x(99)00132-8 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine