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Compound Detail

CHEMBL350356

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CCCCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1

Basic Information

ChEMBL ID CHEMBL350356
Phase Preclinical
Structure Type MOL
InChI Key CGXREZRUTGTAGJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
6.46
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33BrN4
MW 433.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.10

Activity Summary

Ki 2 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.75 7.735 18.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10072679 10.1021/jm980222w Corticotropin-releasing factor receptor 1 1
15509177 10.1021/jm049737f Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine