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Compound Detail

CHEMBL10174

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CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(-c3ccccc3C(F)(F)F)c12

Basic Information

ChEMBL ID CHEMBL10174
Phase Preclinical
Structure Type MOL
InChI Key UYHYUBLUFSCELL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.8
MW (Da)
7.49
ALogP
5
HBA
0
HBD
43.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12Cl3F3N4S
MW 503.76
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.32

Activity Summary

Ki 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.48 7.48 33.4 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