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Compound Detail

CHEMBL194877

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CCCC(c1ccccc1)N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1

Basic Information

ChEMBL ID CHEMBL194877
Phase Preclinical
Structure Type MOL
InChI Key HKCQVNFUVMJATG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.0
MW (Da)
5.91
ALogP
6
HBA
0
HBD
52.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31ClN4O2
MW 442.99
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.84

Activity Summary

Ki 1 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.08 7.08 84.0 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