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Compound Detail

CHEMBL192082

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COCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23

Basic Information

ChEMBL ID CHEMBL192082
Phase Preclinical
Structure Type MOL
InChI Key KGRZFTNWJXLMEH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
3.88
ALogP
6
HBA
0
HBD
63.3
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 C22H23ClN4O2
MW 410.91
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.06

Activity Summary

Ki 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.92 6.92 120.0 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