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

CHEMBL7632

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
CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7632
Phase Preclinical
Structure Type MOL
InChI Key TVNBFJNQCWCHHE-UHFFFAOYSA-N
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
5.79
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O2
MW 384.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.08

Activity Summary

IC50 6 meas. best 6.96
Kd 2 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor A
CHEMBL329
 Kd 8.5 8.5 3.2 1
Type-1 angiotensin II receptor
CHEMBL3374
 IC50 6.96 6.46 110.2 2
Unchecked
CHEMBL612545
 Kd 6.45 6.45 354.8 1
Type-1 angiotensin II receptor B
CHEMBL263
 IC50 6.4 6.4 400.0 1
Unchecked
CHEMBL612545
 IC50 5.96 5.96 1100.0 1
Angiotensin II receptor
CHEMBL2094256
 IC50 5.64 5.64 2300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor A Kd = 3.162 nM 8.5 Antagonist activity at AT1 receptor in rat aortic rings 19013821
Type-1 angiotensin II receptor IC50 = 110.15 nM 6.96 Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos ta... -
Unchecked Kd = 354.81 nM 6.45 Competitive antagonism of Angiotensin II receptor in endothelium removed isolate... 16039125
Type-1 angiotensin II receptor B IC50 = 400.0 nM 6.4 Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor... 8258826
Unchecked IC50 = 1100.0 nM 5.96 In vitro for inhibition of specific binding of [125I]-angiotensin II (0.02 nM) t... 8510105
Type-1 angiotensin II receptor IC50 = 1100.0 nM 5.96 Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos ta... -
Angiotensin II receptor IC50 = 2300.0 nM 5.64 Concentration required for 50% displacement of the specifically bound [3-[125I]-... 1548677
Angiotensin II receptor IC50 = 2300.0 nM 5.64 Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angio... -

Literature References

PubMed DOI Target Context # Activities
8510105 10.1021/jm00064a011 Rattus norvegicus 2
- 10.1016/S0960-894X(00)80279-6 Angiotensin II receptor 2
16039125 10.1016/j.bmcl.2005.05.054 Unchecked 2
19013821 10.1016/j.bmc.2008.10.056 Type-1 angiotensin II receptor A 2
- 10.1007/s00044-009-9182-z Type-1 angiotensin II receptor 2
8258826 10.1021/jm00077a007 Type-1 angiotensin II receptor B 1
1548677 10.1021/jm00083a011 Angiotensin II receptor 1
1548677 10.1021/jm00083a011 Type-2 angiotensin II receptor 1
8510105 10.1021/jm00064a011 Unchecked 1
19013821 10.1016/j.bmc.2008.10.056 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine