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Compound Detail

CHEMBL279734

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CCCC(C)n1c(CC)nc2c(-c3ccc(C(C)O)cc3Cl)ccnc21

Basic Information

ChEMBL ID CHEMBL279734
Phase Preclinical
Structure Type MOL
InChI Key JXYKNBFFDJBIFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.9
MW (Da)
5.73
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.60
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 C21H26ClN3O
MW 371.91
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.87

Activity Summary

Ki 1 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin releasing factor receptor
CHEMBL2111360
Ki 8.29 8.29 5.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12467631 10.1016/s0960-894x(02)00833-8 Corticotropin releasing factor receptor 1

Data from ChEMBL 36 via Core Engine