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Compound Detail

CHEMBL514649

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COc1ccc(-c2c(C)nn3c(N4CCCC4)nc(C)nc23)c(C)c1

Basic Information

ChEMBL ID CHEMBL514649
Phase Preclinical
Structure Type MOL
InChI Key WMIIMPWNKJBPNJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.33
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N5O
MW 337.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 7.09 7.09 80.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19361210 10.1021/jm9000242 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine