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Compound Detail

CHEMBL355882

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Cc1cc(Cl)nc2c1ccn2-c1ccc(C(C)C)cc1Br

Basic Information

ChEMBL ID CHEMBL355882
Phase Preclinical
Structure Type MOL
InChI Key PNGHDPQUCWMVKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.7
MW (Da)
5.87
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16BrClN2
MW 363.69
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.85

Activity Summary

Ki 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
Ki 7.1 7.1 79.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10072680 10.1021/jm980223o Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine