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Compound Detail

CHEMBL263492

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CCCN(CCC)c1cc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12

Basic Information

ChEMBL ID CHEMBL263492
Phase Preclinical
Structure Type MOL
InChI Key OCLJZDRFIGBTOX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
4.65
ALogP
5
HBA
0
HBD
42.7
PSA (Ų)
0.62
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 C21H28N4O
MW 352.48
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.24

Activity Summary

Ki 1 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.44 8.44 3.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15203140 10.1016/j.bmcl.2004.05.019 Corticotropin-releasing factor receptor 1 1
15203140 10.1016/j.bmcl.2004.05.019 No relevant target 1

Data from ChEMBL 36 via Core Engine