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Compound Detail

CHEMBL1934751

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CCCCN(CC)c1nc(C)nc2c1c(C)c(COC)n2-c1c(C)cc(C)cc1C

Basic Information

ChEMBL ID CHEMBL1934751
Phase Preclinical
Structure Type MOL
InChI Key QIOBPEZFEPGVME-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
5.74
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.48
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 C25H36N4O
MW 408.59
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22104142 10.1016/j.bmcl.2011.10.066 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine