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

CHEMBL152106

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
CCCn1nc(C(C)(C)C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152106
Phase Preclinical
Structure Type MOL
InChI Key BQHRGPUDARSBJA-UHFFFAOYSA-N

Known Names

UR-7280
2
Targets
2
Activities
2
Assay Types
8
PK Parameters
7
Publications
1
Known Names

Molecular Properties

444.5
MW (Da)
4.73
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O2
MW 444.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 8.52
Kd 1 meas. best 10.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
 Kd 10.2 10.2 0.1 1
Angiotensin II receptor (AT-1) type-1
CHEMBL2094250
 IC50 8.52 8.52 3.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 45.0 % Rattus norvegicus
F 49.0 % Macaca mulatta
F 45.0 % Rattus norvegicus
F 49.0 % Macaca mulatta
T1/2 7.4 hr Rattus norvegicus
T1/2 15.0 hr Macaca mulatta
T1/2 7.4 hr Rattus norvegicus
T1/2 15.0 hr Macaca mulatta

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor Kd = 0.0631 nM 10.2 Antagonism against Angiotensin II receptor, type 1 in rabbit aorta 9046346
Angiotensin II receptor (AT-1) type-1 IC50 = 3.0 nM 8.52 In vitro binding affinity for rat liver angiotensin II receptor type 1, determin... 9046346

Literature References

PubMed DOI Target Context # Activities
9046346 10.1021/jm9604383 Rattus norvegicus 5
9046346 10.1021/jm9604383 ADMET 2
21071232 10.1016/j.bmc.2010.10.043 Rattus norvegicus 2
21071232 10.1016/j.bmc.2010.10.043 Rhesus monkey 2
9046346 10.1021/jm9604383 Angiotensin II receptor (AT-1) type-1 1
9046346 10.1021/jm9604383 Type-1 angiotensin II receptor 1
9046346 10.1021/jm9604383 Rhesus monkey 1

Data from ChEMBL 36 via Core Engine