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Compound Detail

CHEMBL188858

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CCN(Cc1ccco1)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br

Basic Information

ChEMBL ID CHEMBL188858
Phase Preclinical
Structure Type MOL
InChI Key NYZRYJPGNDZZEO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
5.99
ALogP
5
HBA
1
HBD
61.6
PSA (Ų)
0.47
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 C24H27BrN4O2
MW 483.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 8.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.39 8.39 4.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15509177 10.1021/jm049737f Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine