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Compound Detail

CHEMBL167241

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COc1cc(Br)c(-n2ccc3c(C)cc(C)nc32)c(OC)c1

Basic Information

ChEMBL ID CHEMBL167241
Phase Preclinical
Structure Type MOL
InChI Key KPARZMBGRLAYAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.2
MW (Da)
4.42
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17BrN2O2
MW 361.24
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.71

Activity Summary

Ki 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
Ki 9.0 9.0 1.0 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