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Compound Detail

CHEMBL354886

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CCCC(CCC)Nc1nc(C)nc2c1nnn2-c1ccc(Br)cc1Br

Basic Information

ChEMBL ID CHEMBL354886
Phase Preclinical
Structure Type MOL
InChI Key FMUGNCSNUDORFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.2
MW (Da)
5.42
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22Br2N6
MW 482.22
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.38

Activity Summary

Ki 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10072681 10.1021/jm980224g Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine