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Compound Detail

CHEMBL305583

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CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2ccsc2)CC1

Basic Information

ChEMBL ID CHEMBL305583
Phase Preclinical
Structure Type MOL
InChI Key WYZOHQBGJGOEKF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.6
MW (Da)
5.14
ALogP
7
HBA
0
HBD
56.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N3O3S
MW 425.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.67

Activity Summary

Ki 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15080983 10.1016/j.bmcl.2004.02.053 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine