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Compound Detail

CHEMBL2391146

ANGIOTENSIN
🧪 Phase III
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🧪 Phase III
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C

Basic Information

ChEMBL ID CHEMBL2391146
Name ANGIOTENSIN
Phase Phase III
Structure Type BOTH
InChI Key JSQIKKVBLLHQSQ-AWJAZODESA-N

Known Names

Angiotensin
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
1
Known Names
3
Indications

Molecular Properties

956.1
MW (Da)
-2.72
ALogP
13
HBA
14
HBD
406.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Protein
Chirality Single Enantiomer

Extended Properties

Molecular Formula C43H65N13O12
MW 956.07
Aromatic Rings 2
Heavy Atoms 68
NP-Likeness 0.03

Indications

Hypertension Kidney Diseases Kidney Failure, Chronic

Activity Summary

IC50 2 meas. best 9.89
Ki 1 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-2 angiotensin II receptor
CHEMBL4607
IC50 9.89 9.315 0.1 2
Type-2 angiotensin II receptor
CHEMBL4607
Ki 9.05 9.05 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23582449 10.1016/j.bmc.2013.03.016 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine