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

CHEMBL292150

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
CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292150
Phase Preclinical
Structure Type MOL
InChI Key IVFMKMCSJZZCKV-UHFFFAOYSA-N
2
Targets
11
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

630.7
MW (Da)
6.32
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H33F3N4O5S
MW 630.69
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -1.12

Activity Summary

IC50 10 meas. best 9.35
Ki 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-2 angiotensin II receptor
CHEMBL257
 IC50 9.35 8.086 0.5 5
Type-1 angiotensin II receptor
CHEMBL3948
 IC50 9.35 9.35 0.5 5
Type-2 angiotensin II receptor
CHEMBL257
 Ki 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 0.45 nM 9.35 In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor us... 8064808
Type-1 angiotensin II receptor IC50 = 0.45 nM 9.35 Tested for in vitro binding affinity against angiotensin I (AT1) receptor to com... 7799397
Type-2 angiotensin II receptor IC50 = 0.45 nM 9.35 Inhibitory activity against Angiotensin II receptor, type 2 binding 10821712
Type-1 angiotensin II receptor IC50 = 0.45 nM 9.35 In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1... -
Type-1 angiotensin II receptor IC50 = 0.45 nM 9.35 Inhibition of Angiotensin II receptor, type 1 8576904
Type-1 angiotensin II receptor IC50 = 0.45 nM 9.35 Antagonist activity at AT1 receptor in rabbit aorta membranes -
Type-2 angiotensin II receptor IC50 = 17.0 nM 7.77 In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor us... 8064808
Type-2 angiotensin II receptor IC50 = 17.0 nM 7.77 In vitro binding affinity against angiotensin II (AT2) receptor to competitively... 7799397
Type-2 angiotensin II receptor IC50 = 17.0 nM 7.77 In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2... -
Type-2 angiotensin II receptor IC50 = 17.0 nM 7.77 Inhibitory activity at Angiotensin II type 2 receptor. 8576904
Type-2 angiotensin II receptor Ki = 17.0 nM 7.77 Binding affinity to Angiotensin II receptor, type 2 10821712

Literature References

PubMed DOI Target Context # Activities
8064808 10.1021/jm00043a020 Rattus norvegicus 12
7799397 10.1021/jm00052a006 Rattus norvegicus 2
10821712 10.1021/jm990504b Type-2 angiotensin II receptor 2
8064808 10.1021/jm00043a020 Type-1 angiotensin II receptor 1
8064808 10.1021/jm00043a020 Type-2 angiotensin II receptor 1
7799397 10.1021/jm00052a006 Type-1 angiotensin II receptor 1
7799397 10.1021/jm00052a006 Type-2 angiotensin II receptor 1
7799397 10.1021/jm00052a006 Angiotensin II receptor 1
- 10.1016/S0960-894X(01)80595-3 Type-1 angiotensin II receptor 1
- 10.1016/S0960-894X(01)80595-3 Type-2 angiotensin II receptor 1
- 10.1016/S0960-894X(01)80595-3 Unchecked 1
8576904 10.1021/jm9504722 Type-1 angiotensin II receptor 1
8576904 10.1021/jm9504722 Type-2 angiotensin II receptor 1
- 10.1007/s00044-013-0831-x Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine