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Compound Detail

CHEMBL363152

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CCCC(OC)N1CCn2c(=O)n(-c3ccc(OC)cc3C)c3nc(C)cc1c32

Basic Information

ChEMBL ID CHEMBL363152
Phase Preclinical
Structure Type MOL
InChI Key IIBDTERBHZSLEV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.41
ALogP
7
HBA
0
HBD
61.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O3
MW 396.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.72

Activity Summary

Ki 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.0 6.0 1000.0 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