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

CHEMBL316300

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)c2ccccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316300
Phase Preclinical
Structure Type MOL
InChI Key FNGNUUQIAIQKKJ-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

669.1
MW (Da)
6.88
ALogP
7
HBA
1
HBD
103.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H28ClF3N4O4S
MW 669.12
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -1.30

Activity Summary

IC50 7 meas. best 9.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
 IC50 9.96 9.96 0.1 4
Type-2 angiotensin II receptor
CHEMBL257
 IC50 7.44 7.44 36.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 0.11 nM 9.96 In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor us... 8064808
Type-1 angiotensin II receptor IC50 = 0.11 nM 9.96 Tested for in vitro binding affinity against angiotensin I (AT1) receptor to com... 7799397
Type-1 angiotensin II receptor IC50 = 0.11 nM 9.96 In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1... -
Type-1 angiotensin II receptor IC50 = 0.11 nM 9.96 Antagonist activity at AT1 receptor in rabbit aorta membranes -
Type-2 angiotensin II receptor IC50 = 36.0 nM 7.44 In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor us... 8064808
Type-2 angiotensin II receptor IC50 = 36.0 nM 7.44 In vitro binding affinity against angiotensin II (AT2) receptor to competitively... 7799397
Type-2 angiotensin II receptor IC50 = 36.0 nM 7.44 In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2... -

Literature References

PubMed DOI Target Context # Activities
8064808 10.1021/jm00043a020 Rattus norvegicus 4
7799397 10.1021/jm00052a006 Rattus norvegicus 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
- 10.1007/s00044-013-0831-x Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine