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Compound Detail

CHEMBL190488

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CCCC(CCC)N1CCn2c(=O)n(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32

Basic Information

ChEMBL ID CHEMBL190488
Phase Preclinical
Structure Type MOL
InChI Key UTMYMIAJAQWRHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
5.59
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.51
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 C22H26Cl2N4O
MW 433.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.02

Activity Summary

Ki 1 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.29 8.29 5.1 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