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Compound Detail

CHEMBL483350

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CCCCN(C)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12

Basic Information

ChEMBL ID CHEMBL483350
Phase Preclinical
Structure Type MOL
InChI Key ZABHSAVWAYGPIN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
3.36
ALogP
7
HBA
0
HBD
68.4
PSA (Ų)
0.68
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 -1.46

Activity Summary

IC50 1 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.09 8.09 8.1 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