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Compound Detail

CHEMBL10315

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Cc1cc(C)c(-n2nnc3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(C)c1

Basic Information

ChEMBL ID CHEMBL10315
Phase Preclinical
Structure Type MOL
InChI Key WPRYUTCWSUWZES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
5.13
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18F3N5
MW 397.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.41

Activity Summary

Ki 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.78 6.78 168.0 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