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Compound Detail

CHEMBL364938

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CCCC(CCC)N1CCn2c(=O)n(-c3ccc(OCC)cc3)c3nc(C)cc1c32

Basic Information

ChEMBL ID CHEMBL364938
Phase Preclinical
Structure Type MOL
InChI Key KJVXBTDUUYFNQT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
4.68
ALogP
6
HBA
0
HBD
52.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N4O2
MW 408.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.97

Activity Summary

Ki 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.85 6.85 140.0 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