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Compound Detail

CHEMBL261120

ANGIOTENSIN IV
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261120
Name ANGIOTENSIN IV
Phase Preclinical
Structure Type BOTH
InChI Key QSBGWDDCOJYQGY-KOQODJNWSA-N
8
Targets
19
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

774.9
MW (Da)
1.19
ALogP
9
HBA
8
HBD
248.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C40H54N8O8
MW 774.92
Aromatic Rings 3
Heavy Atoms 56
NP-Likeness -0.05

Activity Summary

Ki 15 meas. best 8.15
IC50 4 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
 Ki 8.15 7.182 7.0 5
Unchecked
CHEMBL612545
 Ki 8.1 7.1225 7.9 4
Aminopeptidase N
CHEMBL1907
 Ki 7.25 6.3725 56.2 4
Interleukin-1 receptor antagonist protein
CHEMBL4523191
 IC50 6.6 6.6 251.2 1
Type-1 angiotensin II receptor
CHEMBL227
 Ki 6.39 6.39 407.4 2
Leucine aminopeptidase
CHEMBL1293313
 IC50 5.82 5.82 1530.0 1
Endoplasmic reticulum aminopeptidase 2
CHEMBL5043
 IC50 5.1 5.1 7943.3 1
Endoplasmic reticulum aminopeptidase 1
CHEMBL5939
 IC50 4.1 4.1 79432.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leucyl-cystinyl aminopeptidase Ki = 7.0 nM 8.15 Displacement of [125I]Angiotensin 4 from human recombinant IRAP expressed in CHO... 18556208
Unchecked Ki = 7.943 nM 8.1 Displacement of [125]Ang4 from endogenous IRAP in CHOK1 cell membrane in presenc... 18386881
Unchecked Ki = 9.3 nM 8.03 Displacement of [3H]AL-11 from IRAP of CHO-K1 cell membrane after 30 mins by sci... 21476495
Leucyl-cystinyl aminopeptidase Ki = 56.23 nM 7.25 Inhibition of human recombinant IRAP expressed in HEK293 cells 18386881
Aminopeptidase N Ki = 56.23 nM 7.25 Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293... 19757839
Leucyl-cystinyl aminopeptidase Ki = 60.0 nM 7.22 Inhibition of human recombinant IRAP expressed in HEK293 cells 18556208
Leucyl-cystinyl aminopeptidase Ki = 62.4 nM 7.21 Inhibition of catalytic activity of recombinant human IRAP transfected in human ... 21476495
Interleukin-1 receptor antagonist protein IC50 = 251.19 nM 6.6 Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using... 32676150
Unchecked Ki = 380.19 nM 6.42 Displacement of [125]Ang4 from endogenous IRAP in CHOK1 cell membrane 18386881
Type-1 angiotensin II receptor Ki = 407.38 nM 6.39 Displacement of [3H]valsartan from human AT1 receptor expressed in CHO cells 18386881
Type-1 angiotensin II receptor Ki = 407.38 nM 6.39 Displacement of [3H]valsartan from human recombinant AT1 receptor expressed in C... 19757839
Aminopeptidase N Ki = 841.0 nM 6.08 Inhibition of catalytic activity of recombinant human AP-N transfected in human ... 21476495
Leucyl-cystinyl aminopeptidase Ki = 831.76 nM 6.08 Inhibition of catalytic activity of human IRAP transfected in HEK293 cells asses... 19757839
Aminopeptidase N Ki = 831.76 nM 6.08 Inhibition of human recombinant APN expressed in HEK293 cells 18386881
Aminopeptidase N Ki = 830.0 nM 6.08 Inhibition of human recombinant APN expressed in HEK293 cells 18556208
Unchecked Ki = 1139.0 nM 5.94 Displacement of [3H]AL-11 from IRAP of CHO-K1 cell membrane preincubated for 40 ... 21476495
Leucine aminopeptidase IC50 = 1530.0 nM 5.82 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... -
Endoplasmic reticulum aminopeptidase 2 IC50 = 7943.28 nM 5.1 Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate by fluorescence ... 32676150
Endoplasmic reticulum aminopeptidase 1 IC50 = 79432.82 nM 4.1 Inhibition of ERAP1 (unknown origin) using Leu-AMC as substrate by fluorescence ... 32676150

Literature References

PubMed DOI Target Context # Activities
18386881 10.1021/jm701490g Unchecked 2
18556208 10.1016/j.bmc.2008.05.046 Leucyl-cystinyl aminopeptidase 2
21476495 10.1021/jm200036n Unchecked 2
19757839 10.1021/jm900651p Unchecked 1
32676150 10.1021/acsmedchemlett.0c00172 Endoplasmic reticulum aminopeptidase 1 1
32676150 10.1021/acsmedchemlett.0c00172 Interleukin-1 receptor antagonist protein 1
32676150 10.1021/acsmedchemlett.0c00172 Endoplasmic reticulum aminopeptidase 2 1
214560 10.1021/jm00210a020 Type-1 angiotensin II receptor 1
21476495 10.1021/jm200036n Aminopeptidase N 1
21476495 10.1021/jm200036n Leucyl-cystinyl aminopeptidase 1
19757839 10.1021/jm900651p Type-1 angiotensin II receptor 1
18386881 10.1021/jm701490g Type-1 angiotensin II receptor 1
19757839 10.1021/jm900651p Leucyl-cystinyl aminopeptidase 1
19757839 10.1021/jm900651p Aminopeptidase N 1
18556208 10.1016/j.bmc.2008.05.046 Aminopeptidase N 1
18386881 10.1021/jm701490g Aminopeptidase N 1
18386881 10.1021/jm701490g Leucyl-cystinyl aminopeptidase 1

Data from ChEMBL 36 via Core Engine