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

CHEMBL337856

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
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1c(F)cccc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337856
Phase Preclinical
Structure Type MOL
InChI Key LVCVMYKRVFAVCM-UCQKPKSFSA-N
5
Targets
8
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
7.30
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24FNO
MW 397.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.33

Activity Summary

IC50 3 meas. best 6.53
Ki 3 meas. best 8.82
EC50 2 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 EC50 8.85 8.45 1.4 2
Progesterone receptor
CHEMBL208
 Ki 8.82 8.82 1.5 1
Glucocorticoid receptor
CHEMBL2034
 Ki 6.63 6.63 232.0 1
Glucocorticoid receptor
CHEMBL2034
 IC50 6.53 6.53 297.0 1
Androgen receptor
CHEMBL1871
 Ki 6.02 6.02 960.0 1
Mineralocorticoid receptor
CHEMBL1994
 IC50 5.73 5.73 1850.0 1
Estrogen receptor
CHEMBL2093866
 IC50 5.61 5.61 2443.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor EC50 = 1.4 nM 8.85 Agonistic activity against human progesterone receptor in CV-1 cells 12954062
Progesterone receptor Ki = 1.5 nM 8.82 Binding affinity towards human progesterone receptor A isoform using progesteron... 12954062
Progesterone receptor EC50 = 9.0 nM 8.05 Agonistic activity against human progesterone receptor in T47D breast cancer cel... 12954062
Glucocorticoid receptor Ki = 232.0 nM 6.63 Inhibition of Dexamethasone binding to human glucocorticoid receptor expressed i... 12954062
Glucocorticoid receptor IC50 = 297.0 nM 6.53 Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M 12954062
Androgen receptor Ki = 960.0 nM 6.02 Inhibition of DHT binding to human androgen receptor expressed in baculovirus SF... 12954062
Mineralocorticoid receptor IC50 = 1850.0 nM 5.73 Inhibitory activity against human Mineralocorticoid receptor 12954062
Estrogen receptor IC50 = 2443.0 nM 5.61 Inhibition of binding to human estrogen receptor 12954062

Literature References

PubMed DOI Target Context # Activities
12954062 10.1021/jm020477g Progesterone receptor 5
12954062 10.1021/jm020477g Unchecked 4
12954062 10.1021/jm020477g Glucocorticoid receptor 3
12954062 10.1021/jm020477g Mineralocorticoid receptor 2
12954062 10.1021/jm020477g Estrogen receptor 2
12954062 10.1021/jm020477g Androgen receptor 1

Data from ChEMBL 36 via Core Engine