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Compound Detail

CHEMBL361242

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CCCC(CCC)N1CCn2c(=O)n(-c3cccc(OC)c3)c3nc(C)cc1c32

Basic Information

ChEMBL ID CHEMBL361242
Phase Preclinical
Structure Type MOL
InChI Key GOJQHWGGVQSYQJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.29
ALogP
6
HBA
0
HBD
52.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N4O2
MW 394.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.97

Activity Summary

Ki 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16078829 10.1021/jm050384+ Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine