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Compound Detail

CHEMBL166945

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Cc1ccc2c(C#N)cn(-c3ccc(C(C)C)cc3Br)c2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166945
Phase Preclinical
Structure Type MOL
InChI Key ZAJNIGMCANZTLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.2
MW (Da)
4.33
ALogP
3
HBA
0
HBD
55.7
PSA (Ų)
0.50
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 C18H16BrN3O
MW 370.25
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
10072680 10.1021/jm980223o Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine