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Compound Detail

CHEMBL371348

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CCCC(CCC)N1CCn2c(=O)n(-c3ccc(Cl)cn3)c3nc(C)cc1c32

Basic Information

ChEMBL ID CHEMBL371348
Phase Preclinical
Structure Type MOL
InChI Key UBFNQLMFHYDCIG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.9
MW (Da)
4.33
ALogP
6
HBA
0
HBD
56.0
PSA (Ų)
0.62
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 C21H26ClN5O
MW 399.93
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.30

Activity Summary

Ki 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.64 7.64 23.0 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