Compound Detail
CHEMBL265502
SURAMIN 🧪 Phase III
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🧪 Phase III
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1
Basic Information
| ChEMBL ID | CHEMBL265502 |
| Name | SURAMIN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FIAFUQMPZJWCLV-UHFFFAOYSA-N |
72
Targets
260
Activities
4
Assay Types
11
PK Parameters
20
Publications
8
Known Names
1
Indications
Molecular Properties
1297.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Carcinoma, Non-Small-Cell Lung
Activity Summary
IC50 191 meas. best 8.4
EC50 38 meas. best 8.4
Ki 26 meas. best 7.4
Kd 5 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metalloproteinase inhibitor 3 CHEMBL5465289 | Kd | 8.72 | 8.72 | 1.9 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 8.4 | 7.008 | 4.0 | 10 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 8.4 | 7.8333 | 4.0 | 3 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 8.3 | 7.3752 | 5.0 | 23 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.12 | 7.564 | 7.5 | 10 |
| Unchecked CHEMBL612545 | IC50 | 7.6 | 6.3113 | 25.0 | 8 |
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 7.57 | 6.1785 | 27.0 | 13 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.55 | 7.4267 | 28.0 | 9 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 7.48 | 7.2525 | 33.0 | 4 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.42 | 6.67 | 38.0 | 2 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Dengue virus CHEMBL613757 | Kd | 7.4 | 7.4 | 40.0 | 1 |
| Trypanosoma brucei gambiense CHEMBL613768 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| P2Y purinoceptor 11 CHEMBL4867 | Ki | 6.95 | 6.735 | 112.2 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | Ki | 6.58 | 6.3017 | 260.0 | 6 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.58 | 6.58 | 260.0 | 3 |
| Hepatitis B virus CHEMBL613497 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Trypanosoma evansi CHEMBL1075362 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Protein argonaute-2 CHEMBL4680043 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Genome polyprotein CHEMBL5980 | Ki | 6.12 | 6.12 | 750.0 | 2 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | IC50 | 6.05 | 5.9643 | 890.0 | 7 |
| P2X purinoceptor 1 CHEMBL2530 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| P2X purinoceptor 1 CHEMBL2530 | IC50 | 6.0 | 5.665 | 1000.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.96 | 5.695 | 1100.0 | 4 |
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.96 | 5.25 | 1100.0 | 10 |
| Pyruvate kinase PKLR CHEMBL1075126 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.85 | 5.695 | 1420.0 | 2 |
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Nonstructural protein 3 CHEMBL4523954 | EC50 | 5.71 | 5.71 | 1930.0 | 1 |
| NAD-dependent protein lipoamidase sirtuin-4, mitochondrial CHEMBL2163185 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 5.7 | 4.7732 | 2000.0 | 19 |
| Pyruvate kinase PKLR CHEMBL1075126 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.53 | 5.115 | 2930.0 | 2 |
| ATP-dependent 6-phosphofructokinase CHEMBL5686 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | EC50 | 5.52 | 5.175 | 3000.0 | 2 |
| P2X purinoceptor 2 CHEMBL2135 | IC50 | 5.4 | 4.9 | 4000.0 | 2 |
| P2Y purinoceptor 12 CHEMBL2188 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| P2X purinoceptor 5 CHEMBL2495 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 5.37 | 5.37 | 4270.0 | 2 |
| Ectonucleoside triphosphate diphosphohydrolase 3 CHEMBL5897 | IC50 | 5.37 | 5.37 | 4300.0 | 2 |
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.33 | 5.29 | 4730.0 | 2 |
| Tyrosyl-DNA phosphodiesterase 1 CHEMBL1075138 | IC50 | 5.3 | 5.3 | 5000.0 | 2 |
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 5.27 | 5.005 | 5330.0 | 2 |
| Chikungunya virus CHEMBL4296563 | IC50 | 5.25 | 5.25 | 5680.0 | 1 |
| RmtA CHEMBL1075069 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Putative silent information regulator 2 CHEMBL2311240 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Trypanosoma congolense CHEMBL4296607 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| HSP60/HSP10 CHEMBL4106131 | IC50 | 5.14 | 5.05 | 7200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.0057 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.0011 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.0057 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.0057 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 2300.0 | nM | Rattus norvegicus |
| Fu | 0.003 | - | Homo sapiens |
| Fu | 0.001 | - | Homo sapiens |
| Ka | - | - | - |
| Ka | - | - | - |
| MRT | 1400.0 | hr | Homo sapiens |
| T1/2 | 1200.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine