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Compound Detail

CHEMBL26610

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CCCC(C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21

Basic Information

ChEMBL ID CHEMBL26610
Phase Preclinical
Structure Type MOL
InChI Key HHZUBQOBTSGLCZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
6.57
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.46
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 -1.11

Activity Summary

Ki 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin releasing factor receptor
CHEMBL2111360
Ki 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12467632 10.1016/s0960-894x(02)00834-x No relevant target 2
12467632 10.1016/s0960-894x(02)00834-x Corticotropin releasing factor receptor 1

Data from ChEMBL 36 via Core Engine