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Compound Detail

CHEMBL497286

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CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OCCO

Basic Information

ChEMBL ID CHEMBL497286
Phase Preclinical
Structure Type MOL
InChI Key MRBZFQJIPOUVHM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
4.07
ALogP
6
HBA
1
HBD
67.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33N3O3
MW 387.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.61

Activity Summary

Ki 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.79 5.79 1610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18672365 10.1016/j.bmcl.2008.07.063 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine