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Compound Detail

CHEMBL433940

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CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)C(CC)c1ccccc1

Basic Information

ChEMBL ID CHEMBL433940
Phase Preclinical
Structure Type MOL
InChI Key PHFCKPZJHCBXID-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
5.51
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27ClN4O
MW 398.94
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.05

Activity Summary

Ki 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.58 7.58 26.0 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