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Compound Detail

CHEMBL142304

STILBAMIDINE
🧪 Phase II
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🧪 Phase II
N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL142304
Name STILBAMIDINE
Phase Phase II
Structure Type MOL
InChI Key MMURVNDSFNJHAM-OWOJBTEDSA-N

Known Names

NSC-35605 Stilbamidine
5
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

264.3
MW (Da)
2.43
ALogP
2
HBA
4
HBD
99.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -amidine

Extended Properties

Molecular Formula C16H16N4
MW 264.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.14

Activity Summary

IC50 14 meas. best 7.57
Ki 2 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.57 7.57 27.0 1
Leishmania mexicana
CHEMBL612880
 IC50 5.05 5.05 9000.0 1
Protein arginine N-methyltransferase 1
CHEMBL5524
 IC50 4.82 4.484 15200.0 5
Protein arginine N-methyltransferase 1
CHEMBL5524
 Ki 4.59 4.525 25600.0 2
RmtA
CHEMBL1075069
 IC50 4.52 4.52 29900.0 1
Protein arginine N-methyltransferase 5
CHEMBL1795116
 IC50 4.36 4.36 44100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 27.0 nM 7.57 Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 by ... 18395298
Leishmania mexicana IC50 = 9000.0 nM 5.05 Antimicrobial activity against Leishmania mexicana 20185316
Protein arginine N-methyltransferase 1 IC50 = 15200.0 nM 4.82 Inhibition of His6x-tagged recombinant PRMT1 (unknown origin) expressed in Esche... 24564570
Protein arginine N-methyltransferase 1 IC50 = 15200.0 nM 4.82 Inhibition of PRMT1 (unknown origin) 34046601
Protein arginine N-methyltransferase 1 Ki = 25600.0 nM 4.59 Inhibition of His6x-tagged PRMT1-mediated arginine methylation expressed in Esch... 20666457
RmtA IC50 = 29900.0 nM 4.52 Inhibition of Aspergillus nidulans RmtA by TRF assay 17432842
Protein arginine N-methyltransferase 1 Ki = 35000.0 nM 4.46 Binding affinity to His6x-tagged PRMT1 expressed in Escherichia coli BL21 (DE3) ... 20666457
Protein arginine N-methyltransferase 5 IC50 = 44100.0 nM 4.36 Inhibition of HA-tagged recombinant PRMT5 (unknown origin) expressed in HEK293T ... 24564570
Protein arginine N-methyltransferase 1 IC50 = 52000.0 nM 4.28 Inhibition of PRMT1 (unknown origin) assessed as reduction in methyl transfer fr... 28649316
Protein arginine N-methyltransferase 1 IC50 = 56900.0 nM 4.25 Inhibition of human recombinant PRMT1 by TRF assay 17432842
Protein arginine N-methyltransferase 1 IC50 = 56600.0 nM 4.25 Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in ... 20666457

Literature References

PubMed DOI Target Context # Activities
430483 10.1021/jm00190a019 Trypanosoma brucei rhodesiense 11
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
7381860 10.1021/jm00179a022 Mus musculus 10
321783 10.1021/jm00214a014 Trypanosoma brucei rhodesiense 9
336890 10.1021/jm00219a023 Trypanosoma brucei rhodesiense 9
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
20666457 10.1021/jm100416n Protein arginine N-methyltransferase 1 6
17432842 10.1021/jm061250e Protein arginine N-methyltransferase 1 6
17432842 10.1021/jm061250e Estrogen receptor 1
18395298 10.1016/j.ejmech.2008.02.005 Plasmodium falciparum 1
20185316 10.1016/j.bmc.2010.01.068 Leishmania mexicana 1
20666457 10.1021/jm100416n Histone acetyltransferase p300 1
17428028 10.1021/ci6004542 Phospholipidosis 1
20799726 10.1021/mp100103e Phospholipidosis 1
20020916 10.1080/15376510701857262 Phospholipidosis 1
17432842 10.1021/jm061250e RmtA 1
24564570 10.1021/jm401884z Protein arginine N-methyltransferase 1 1
24564570 10.1021/jm401884z Protein arginine N-methyltransferase 5 1
34046601 10.1039/d0md00259c Protein arginine N-methyltransferase 1 1
6157024 10.1021/jm00181a016 Gag-Pol polyprotein 1

Data from ChEMBL 36 via Core Engine