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Compound Detail

CHEMBL519967

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CCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12

Basic Information

ChEMBL ID CHEMBL519967
Phase Preclinical
Structure Type MOL
InChI Key SDJGTRXAWVZJTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
3.72
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.73
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 C19H26N6O
MW 354.46
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 8.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.51 8.51 3.1 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