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Compound Detail

CHEMBL10279

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COc1cc(Br)c(-n2c(O)nc3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1

Basic Information

ChEMBL ID CHEMBL10279
Phase Preclinical
Structure Type MOL
InChI Key FNFWALVJZBSLDZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.3
MW (Da)
5.30
ALogP
7
HBA
1
HBD
82.3
PSA (Ų)
0.40
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16BrF3N4O3
MW 509.28
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.75

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.7 6.7 202.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10230641 10.1016/s0960-894x(99)00133-x Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine