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Compound Detail

CHEMBL364016

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CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23

Basic Information

ChEMBL ID CHEMBL364016
Phase Preclinical
Structure Type MOL
InChI Key WXQAPJJATKTFGT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
6.97
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.43
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 C23H27Cl2N3
MW 416.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.96

Activity Summary

Ki 1 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.38 8.38 4.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15943483 10.1021/jm050070m Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine