Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1928884

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(F)cc3)cc2N1

Basic Information

ChEMBL ID CHEMBL1928884
Phase Preclinical
Structure Type MOL
InChI Key HZOURIJYMFADDZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.3
MW (Da)
4.03
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11F4N3O2
MW 377.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mineralocorticoid receptor
CHEMBL1994
IC50 6.58 6.58 260.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 24.0 mL.min-1.g-1 Rattus norvegicus
F 28.0 % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22074142 10.1021/jm2011645 Mineralocorticoid receptor 1
22074142 10.1021/jm2011645 Liver microsomes 1
22074142 10.1021/jm2011645 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine