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Compound Detail

CHEMBL9795

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CCN(c1nc(C)cc(-c2ccccc2N)n1)c1ccc(C(C)C)cc1Br

Basic Information

ChEMBL ID CHEMBL9795
Phase Preclinical
Structure Type MOL
InChI Key KFPLAKSBVJELBO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
6.08
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.50
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 C22H25BrN4
MW 425.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.84

Activity Summary

Ki 1 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.63 5.63 2359.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10230640 10.1016/s0960-894x(99)00132-8 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine