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Compound Detail

CHEMBL361346

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CCCC(CCC)N1CCC2CN(c3ccc(C(F)(F)F)cc3C(F)(F)F)c3nc(C)nc1c32

Basic Information

ChEMBL ID CHEMBL361346
Phase Preclinical
Structure Type MOL
InChI Key CCSJMVKIJVWCFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
7.24
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.40
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 C24H28F6N4
MW 486.50
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.39 7.39 40.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 40.74 nM 7.39 Displacement of [125I]o-CRF from recombinant human CRF receptors expressed in Ch... 15946843

Literature References

PubMed DOI Target Context # Activities
15946843 10.1016/j.bmcl.2005.05.040 Unchecked 1

Data from ChEMBL 36 via Core Engine