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Compound Detail

CHEMBL359863

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CCCC(c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1

Basic Information

ChEMBL ID CHEMBL359863
Phase Preclinical
Structure Type MOL
InChI Key GUXOKTNDTLBAEY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.0
MW (Da)
5.90
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29ClN4O
MW 412.97
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.96

Activity Summary

Ki 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15743196 10.1021/jm049339c Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine