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Compound Detail

CHEMBL352378

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CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(OC)cc2OC)n1

Basic Information

ChEMBL ID CHEMBL352378
Phase Preclinical
Structure Type MOL
InChI Key ADSLIDNGJTWAQF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.9
MW (Da)
4.46
ALogP
6
HBA
0
HBD
50.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27ClN4O2
MW 378.90
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.94

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10072679 10.1021/jm980222w Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine