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Compound Detail

CHEMBL475507

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CCN(CCOC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12

Basic Information

ChEMBL ID CHEMBL475507
Phase Preclinical
Structure Type MOL
InChI Key UISKZIOZCXQSOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
2.59
ALogP
8
HBA
0
HBD
77.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N6O2
MW 370.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.18 8.18 6.6 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