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Compound Detail

CHEMBL35241

DIMINAZENE
🧪 Phase II
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🧪 Phase II
N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1

Basic Information

ChEMBL ID CHEMBL35241
Name DIMINAZENE
Phase Phase II
Structure Type MOL
InChI Key XNYZHCFCZNMTFY-UHFFFAOYSA-N

Known Names

4,4'-(diazoamino)benzamidine Diminazen Diminazene Diminazeno
17
Targets
76
Activities
4
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

281.3
MW (Da)
2.37
ALogP
4
HBA
5
HBD
136.5
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C14H15N7
MW 281.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.47

Activity Summary

EC50 50 meas. best 8.0
IC50 19 meas. best 8.52
Ki 4 meas. best 7.89
Kd 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 9.0 7.49 1.0 3
Trypanosoma brucei brucei
CHEMBL612851
IC50 8.52 7.3063 3.0 8
Trypanosoma brucei rhodesiense
CHEMBL612348
IC50 8.24 8.24 5.8 1
Trypanosoma brucei
CHEMBL612849
EC50 8.0 6.205 10.0 12
Trypanosoma brucei brucei
CHEMBL612851
EC50 7.92 6.5677 12.0 22
Diamine oxidase [copper-containing]
CHEMBL2118
Ki 7.89 7.89 13.0 1
Trypanosoma evansi
CHEMBL1075362
EC50 7.75 7.75 18.0 1
Trypanosoma brucei
CHEMBL612849
IC50 7.7 7.7 20.0 1
Trypanosoma congolense
CHEMBL4296607
EC50 7.52 6.5586 30.0 7
Trypanosoma vivax
CHEMBL5209658
EC50 6.77 6.77 170.0 1
Plasmodium falciparum
CHEMBL364
IC50 6.72 6.72 190.0 1
Unchecked
CHEMBL612545
IC50 6.52 6.52 300.0 1
Furin
CHEMBL2611
IC50 6.24 6.24 580.0 1
Transmembrane protease serine 2
CHEMBL1795140
IC50 5.87 5.87 1350.0 1
Diamine acetyltransferase 1
CHEMBL4286
Ki 5.62 5.62 2400.0 1
L6
CHEMBL614793
IC50 5.3 5.3 5000.0 1
Furin
CHEMBL2611
Ki 5.27 5.27 5420.0 1
Angiotensin-converting enzyme 2
CHEMBL3736
EC50 5.09 5.09 8040.0 1
L1210
CHEMBL386
IC50 4.5 4.5 32000.0 1
Acid-sensing ion channel 1/2
CHEMBL4523651
IC50 4.34 4.34 45200.0 1
Acid-sensing ion channel 1
CHEMBL3232694
IC50 4.25 4.25 56900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 1.0 nM 9.0 Binding affinity to wild type Bcl2 27-mer G-quadruplex DNA (unknown origin) by i... 27132164
Unchecked Kd = 1.0 nM 9.0 Binding affinity to wild type c-MYC 24-mer G-quadruplex DNA (unknown origin) by ... 27132164
Trypanosoma brucei brucei IC50 = 3.0 nM 8.52 In vitro activity against bloodstream from trypomastigotes. 9871546
Trypanosoma brucei brucei IC50 = 5.0 nM 8.3 Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstre... 27060763
Trypanosoma brucei rhodesiense IC50 = 5.8 nM 8.24 Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... 21112788
Trypanosoma brucei brucei IC50 = 7.0 nM 8.15 Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei brucei... 25007262
Trypanosoma brucei EC50 = 10.0 nM 8.0 Antitrypanosomal activity against wildtype bloodstream Trypanosoma brucei Lister... 37729094
Trypanosoma brucei brucei EC50 = 12.0 nM 7.92 Trypanocidal activity against wild type bloodstream form of Trypanosoma brucei b... 26231081
Trypanosoma brucei EC50 = 12.0 nM 7.92 Antitrypanosomal activity against pentamidine resistant Trypanosoma brucei B48 i... 37729094
Diamine oxidase [copper-containing] Ki = 13.0 nM 7.89 Mixed type inhibition of recombinant human DAO expressed in drosophila S2 cells 24630693
Trypanosoma evansi EC50 = 18.0 nM 7.75 Antitrypanosomal activity against Trypanosoma evansi ITMAV170475 after 48 hrs by... 20004045
Trypanosoma brucei IC50 = 20.0 nM 7.7 Antitrypanosomal activity against Trypanosoma brucei 18173229
Trypanosoma brucei brucei IC50 = 25.0 nM 7.6 Antitrypanosomal activity against Trypanosoma brucei brucei 20558060
Trypanosoma brucei brucei IC50 = 27.0 nM 7.57 Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei brucei... 25007262
Trypanosoma congolense EC50 = 30.0 nM 7.52 Antitrypanosomal activity against bloodstream form of Trypanosoma congolense mea... 34447938
Trypanosoma brucei EC50 = 31.0 nM 7.51 Antitrypanosomal activity against wild type Trypanosoma brucei after 3 days by r... 22264753
Trypanosoma brucei brucei EC50 = 63.0 nM 7.2 Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr... 29544150
Trypanosoma brucei brucei EC50 = 63.0 nM 7.2 Trypanocidal activity against bloodstream trypomastigote stage of wild-type Tryp... 28112515
Trypanosoma brucei brucei IC50 = 64.1 nM 7.19 Antitrypanosomal activity against Trypanosoma brucei brucei 427 assessed as para... 34095848
Trypanosoma brucei brucei EC50 = 65.0 nM 7.19 Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr... 28112515

Literature References

PubMed DOI Target Context # Activities
27132164 10.1016/j.ejmech.2016.04.030 Unchecked 13
- 10.1016/j.cropro.2011.05.023 Anticarsia gemmatalis 9
30677668 10.1016/j.ejmech.2018.12.050 Trypanosoma brucei 7
17116678 10.1128/aac.01193-06 Leishmania donovani 6
19786604 10.1128/aac.00422-09 Trypanosoma evansi 5
25699142 10.1021/ml500408d Trypanosoma brucei brucei 5
22390399 10.1021/jm2014259 Trypanosoma brucei brucei 5
34447938 10.1039/D1MD00110H Trypanosoma congolense 4
22264753 10.1016/j.bmc.2011.12.018 Trypanosoma brucei 4
28112515 10.1021/acs.jmedchem.6b01740 Trypanosoma brucei brucei 4
34447938 10.1039/D1MD00110H Unchecked 4
34447938 10.1039/D1MD00110H Trypanosoma brucei brucei 4
29544150 10.1016/j.ejmech.2018.02.075 Trypanosoma brucei brucei 3
6737429 10.1021/jm00373a010 Trypanosoma brucei 3
9871546 10.1016/s0960-894x(98)00095-x Unchecked 3
26231081 10.1016/j.ejmech.2015.07.013 Trypanosoma brucei brucei 3
31931339 10.1016/j.ejmech.2019.112018 Trypanosoma brucei 3
20004045 10.1016/j.ejmech.2009.11.035 Trypanosoma brucei brucei 3
34965114 10.1021/acs.jnatprod.1c00738 Trypanosoma brucei rhodesiense 3
7658436 10.1021/jm00018a009 Calf thymus DNA 3

Data from ChEMBL 36 via Core Engine