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

CHEMBL2011246

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
Oc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011246
Phase Preclinical
Structure Type MOL
InChI Key HBUHLNNLQYRDAT-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.84
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12FN3O
MW 269.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.56

Activity Summary

IC50 7 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
 IC50 7.77 7.77 17.0 3
Cytochrome P450 11B2, mitochondrial
CHEMBL2722
 IC50 6.62 6.62 237.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 11B1, mitochondrial IC50 = 17.0 nM 7.77 Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deox... 24900349
Cytochrome P450 11B1, mitochondrial IC50 = 17.0 nM 7.77 Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]11-de... 24900680
Cytochrome P450 11B1, mitochondrial IC50 = 17.0 nM 7.77 Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... -
Cytochrome P450 11B2, mitochondrial IC50 = 237.0 nM 6.62 Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deox... 24900349
Cytochrome P450 11B2, mitochondrial IC50 = 237.0 nM 6.62 Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]11-de... 24900680
Cytochrome P450 11B2, mitochondrial IC50 = 237.0 nM 6.62 Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... -
Cytochrome P450 11B2, mitochondrial IC50 = 237.0 nM 6.62 Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... -

Literature References

PubMed DOI Target Context # Activities
24900349 10.1021/ml100283h Cytochrome P450 11B1, mitochondrial 1
24900349 10.1021/ml100283h Cytochrome P450 11B2, mitochondrial 1
24900349 10.1021/ml100283h Unchecked 1
24900680 10.1021/ml4000595 Cytochrome P450 11B2, mitochondrial 1
24900680 10.1021/ml4000595 Cytochrome P450 11B1, mitochondrial 1

Data from ChEMBL 36 via Core Engine