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Compound Detail

CHEMBL293627

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CCCN(c1ncc(C)c(-c2ccc(OC)cc2OC)n1)C(C1CC1)C1CC1

Basic Information

ChEMBL ID CHEMBL293627
Phase Preclinical
Structure Type MOL
InChI Key NTEWNJQRSNCWSA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.87
ALogP
5
HBA
0
HBD
47.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O2
MW 381.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.70

Activity Summary

Ki 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15080983 10.1016/j.bmcl.2004.02.053 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine