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Compound Detail

CHEMBL166238

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CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(Br)cc2Cl)n1

Basic Information

ChEMBL ID CHEMBL166238
Phase Preclinical
Structure Type MOL
InChI Key UWZGCBKUBPSOFQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.2
MW (Da)
5.86
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21BrCl2N4
MW 432.19
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.22

Activity Summary

Ki 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.62 7.62 24.0 1

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

Data from ChEMBL 36 via Core Engine