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Compound Detail

CHEMBL520344

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CCC(CC)Nc1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12

Basic Information

ChEMBL ID CHEMBL520344
Phase Preclinical
Structure Type MOL
InChI Key LLQODZTYTMHLOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
3.78
ALogP
7
HBA
1
HBD
71.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N7
MW 367.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 7.61 7.61 24.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19361209 10.1021/jm900025h Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine