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Compound Detail

CHEMBL474901

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CCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12

Basic Information

ChEMBL ID CHEMBL474901
Phase Preclinical
Structure Type MOL
InChI Key AMYBMROKOODFQT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
4.36
ALogP
7
HBA
0
HBD
64.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N5O2
MW 397.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 8.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.76 8.76 1.7 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