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

CHEMBL287677

DEXFADROSTAT
🧪 Phase II
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
🧪 Phase II
N#Cc1ccc([C@H]2CCCc3cncn32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287677
Name DEXFADROSTAT
Phase Phase II
Structure Type MOL
InChI Key CLPFFLWZZBQMAO-CQSZACIVSA-N

Known Names

Dexfadrostat Fadrozole, (r)- R-fadrozole
7
Targets
27
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

223.3
MW (Da)
2.68
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -stat

Extended Properties

Molecular Formula C14H13N3
MW 223.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.71

Activity Summary

IC50 27 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B2, mitochondrial
CHEMBL2722
 IC50 8.8 8.169 1.6 10
Unchecked
CHEMBL612545
 IC50 8.4 8.15 4.0 2
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
 IC50 8.02 7.3814 9.5 7
Cytochrome P450 11B2, mitochondrial
CHEMBL3237
 IC50 6.93 6.93 118.0 1
Aromatase
CHEMBL1978
 IC50 6.17 5.7825 680.0 4
Cytochrome P450 11B1, mitochondrial
CHEMBL4970
 IC50 6.16 6.16 686.0 1
Cytochrome P450 11B2, mitochondrial
CHEMBL3621020
 IC50 5.68 5.68 2074.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 11B2, mitochondrial IC50 = 1.6 nM 8.8 Inhibition of human recombinant CYP11B2 by cell-based assay 20615692
Cytochrome P450 11B2, mitochondrial IC50 = 1.8 nM 8.74 Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrat... 24900631
Cytochrome P450 11B2, mitochondrial IC50 = 4.0 nM 8.4 Inhibition of human CYP11B2 expressed in HEK293A cells using deoxycorticosterone... 28359792
Unchecked IC50 = 3.981 nM 8.4 Inhibition of cynomolgus monkey adrenal mitochondrial CYP11B2 using corticostero... 29254646
Cytochrome P450 11B2, mitochondrial IC50 = 4.0 nM 8.4 Inhibition of human CYP11B2 expressed in HEK293-A cells harboring FDXR/FDX using... 38851000
Cytochrome P450 11B2, mitochondrial IC50 = 6.0 nM 8.22 Inhibition of human CYP11B2 expressed in chinese hamster V79 cells 20121113
Cytochrome P450 11B2, mitochondrial IC50 = 6.0 nM 8.22 Inhibition of human aldosterone synthase expressed in V79 MZ cells pretreated wi... 24422519
Cytochrome P450 11B2, mitochondrial IC50 = 6.0 nM 8.22 Inhibition of human CYP11B2 expressed in V79 cells using 11-deoxycorticosteron a... 35975976
Cytochrome P450 11B1, mitochondrial IC50 = 9.5 nM 8.02 Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by c... 24900631
Cytochrome P450 11B1, mitochondrial IC50 = 9.9 nM 8.0 Inhibition of human recombinant CYP11B1 by cell-based assay 20615692
Unchecked IC50 = 12.59 nM 7.9 Inhibition of cynomolgus monkey adrenal mitochondrial CYP11B1 using 11-deoxycort... 29254646
Cytochrome P450 11B2, mitochondrial IC50 = 13.5 nM 7.87 Inhibition of human CYP11B2 stably transfected in mouse Y-1 cells using deoxycor... 37804995
Cytochrome P450 11B1, mitochondrial IC50 = 19.0 nM 7.72 Inhibition of human CYP11B1 expressed in V79 cells using 11-deoxycorticosteron a... 35975976
Cytochrome P450 11B2, mitochondrial IC50 = 30.0 nM 7.52 Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiote... 24900631
Cytochrome P450 11B2, mitochondrial IC50 = 50.1 nM 7.3 Inhibition of human CYP11B2 expressed in human NCI-H295 cells incubated for 48 h... 37804995
Cytochrome P450 11B1, mitochondrial IC50 = 79.1 nM 7.1 Inhibition of human CYP11B1 stably transfected in mouse Y-1 cells using deoxycor... 37804995
Cytochrome P450 11B1, mitochondrial IC50 = 102.0 nM 6.99 Inhibition of human CYP11B1 expressed in human NCI-H295 cells incubated for 48 h... 37804995
Cytochrome P450 11B2, mitochondrial IC50 = 118.0 nM 6.93 Inhibition of rat recombinant CYP11B2 using 11-deoxycorticosterone as substrate ... 24900631
Cytochrome P450 11B1, mitochondrial IC50 = 119.0 nM 6.92 Inhibition of human CYP11B1 expressed in chinese hamster V79 cells 20121113
Cytochrome P450 11B1, mitochondrial IC50 = 119.0 nM 6.92 Inhibition of human CYP11B1 expressed in V79 MZ cells pretreated with compound f... 24422519

Literature References

PubMed DOI Target Context # Activities
29254646 10.1016/j.bmcl.2017.12.015 Unchecked 3
24900631 10.1021/ml400324c Cytochrome P450 11B2, mitochondrial 3
37804995 10.1016/j.bmcl.2023.129501 Cytochrome P450 11B1, mitochondrial 2
37804995 10.1016/j.bmcl.2023.129501 Cytochrome P450 11B2, mitochondrial 2
37804995 10.1016/j.bmcl.2023.129501 Unchecked 2
24900631 10.1021/ml400324c Cytochrome P450 11B1, mitochondrial 2
38851000 10.1016/j.bmc.2024.117775 Cytochrome P450 11B2, mitochondrial 2
8496907 10.1021/jm00062a012 Aromatase 2
28359792 10.1016/j.bmcl.2017.03.034 Cytochrome P450 11B2, mitochondrial 2
24422519 10.1021/jm401430e Cytochrome P450 11B2, mitochondrial 1
29254646 10.1016/j.bmcl.2017.12.015 Steroid 17-alpha-hydroxylase/17,20 lyase 1
28359792 10.1016/j.bmcl.2017.03.034 Cynomolgus monkey 1
38851000 10.1016/j.bmc.2024.117775 Cytochrome P450 11B1, mitochondrial 1
24422519 10.1021/jm401430e Cytochrome P450 11B1, mitochondrial 1
24422519 10.1021/jm401430e Rattus norvegicus 1
20615692 10.1016/j.bmcl.2010.06.086 Cytochrome P450 11B1, mitochondrial 1
20615692 10.1016/j.bmcl.2010.06.086 Cytochrome P450 11B2, mitochondrial 1
20121113 10.1021/jm901356d Unchecked 1
20121113 10.1021/jm901356d Cytochrome P450 11B2, mitochondrial 1
20121113 10.1021/jm901356d Cytochrome P450 11B1, mitochondrial 1

Data from ChEMBL 36 via Core Engine