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Compound Detail

CHEMBL332288

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CCCN(CCC)c1cc(C(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(C)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332288
Phase Preclinical
Structure Type MOL
InChI Key FXBCOLKBQNSGDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
6.00
ALogP
4
HBA
0
HBD
33.4
PSA (Ų)
0.50
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 C20H22ClF3N4
MW 410.87
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
15203140 10.1016/j.bmcl.2004.05.019 Corticotropin-releasing factor receptor 1 1
15203140 10.1016/j.bmcl.2004.05.019 No relevant target 1

Data from ChEMBL 36 via Core Engine