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Compound Detail

CHEMBL274579

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CCN(c1nc(C)cc(-c2cccnc2)n1)c1c(Br)cc(OC)cc1OC

Basic Information

ChEMBL ID CHEMBL274579
Phase Preclinical
Structure Type MOL
InChI Key HCIZRAKUHNWTIA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.3
MW (Da)
4.78
ALogP
6
HBA
0
HBD
60.4
PSA (Ų)
0.56
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 C20H21BrN4O2
MW 429.32
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.88

Activity Summary

Ki 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.64 6.64 229.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10230640 10.1016/s0960-894x(99)00132-8 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine