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Compound Detail

CHEMBL364680

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CCC(CC)N1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32

Basic Information

ChEMBL ID CHEMBL364680
Phase Preclinical
Structure Type MOL
InChI Key OFEBEMWDYPSPFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.51
ALogP
6
HBA
0
HBD
52.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O2
MW 366.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.95

Activity Summary

Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16078829 10.1021/jm050384+ Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine