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Compound Detail

CHEMBL10526

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CCN(c1nc(C)cc(-c2ccccc2OC)n1)c1c(Br)cc(OC)cc1OC

Basic Information

ChEMBL ID CHEMBL10526
Phase Preclinical
Structure Type MOL
InChI Key BLZURCDEJGRCOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.4
MW (Da)
5.40
ALogP
6
HBA
0
HBD
56.7
PSA (Ų)
0.47
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 C22H24BrN3O3
MW 458.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.62

Activity Summary

Ki 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.26 7.26 54.8 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