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Compound Detail

CHEMBL23630

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CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)COC

Basic Information

ChEMBL ID CHEMBL23630
Phase Preclinical
Structure Type MOL
InChI Key TUNSQAQKXUSTEG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
5.93
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClF3N3O
MW 411.86
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.32

Activity Summary

Ki 1 meas. best 8.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin releasing factor receptor
CHEMBL2111360
Ki 8.33 8.33 4.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12467631 10.1016/s0960-894x(02)00833-8 Corticotropin releasing factor receptor 1

Data from ChEMBL 36 via Core Engine