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Compound Detail

CHEMBL10082

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CCN(c1nc(C)nc(-c2ccccc2C(F)(F)F)n1)c1ccc(C(C)C)cc1Br

Basic Information

ChEMBL ID CHEMBL10082
Phase Preclinical
Structure Type MOL
InChI Key WUYNBOMGGUZZDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.3
MW (Da)
6.91
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22BrF3N4
MW 479.34
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.05

Activity Summary

Ki 1 meas. best 8.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.26 8.26 5.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10230641 10.1016/s0960-894x(99)00133-x Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine