Compound Detail
CHEMBL1214186
SINEFUNGIN 🧪 Phase II
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🧪 Phase II
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1214186 |
| Name | SINEFUNGIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LMXOHSDXUQEUSF-YECHIGJVSA-N |
23
Targets
72
Activities
3
Assay Types
0
PK Parameters
20
Publications
6
Known Names
Molecular Properties
381.4
MW (Da)
-2.06
ALogP
11
HBA
6
HBD
208.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 65 meas. best 9.26
Kd 5 meas. best 6.87
Ki 2 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| mRNA cap guanine-N7 methyltransferase CHEMBL4295662 | IC50 | 9.26 | 7.27 | 0.6 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 6.139 | 30.0 | 21 |
| Nonstructural protein 5 CHEMBL4295629 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 7.0 | 5.3467 | 100.0 | 3 |
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | IC50 | 7.0 | 5.775 | 100.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 6.87 | 5.755 | 136.0 | 2 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.58 | 6.516 | 260.0 | 5 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 6.51 | 5.9133 | 310.0 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| NS5 CHEMBL4523952 | IC50 | 5.93 | 5.86 | 1180.0 | 2 |
| METTL3/METTL14 CHEMBL4106140 | IC50 | 5.89 | 5.76 | 1300.0 | 2 |
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 5.79 | 5.61 | 1630.0 | 2 |
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
| Histone-lysine N-methyltransferase SETD7 CHEMBL5523 | IC50 | 5.62 | 5.42 | 2380.0 | 3 |
| Nicotinamide N-methyltransferase CHEMBL2346486 | IC50 | 5.41 | 5.1967 | 3900.0 | 3 |
| Indolethylamine N-methyltransferase CHEMBL2131 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| tRNA (cytosine(38)-C(5))-methyltransferase CHEMBL4523124 | Kd | 5.12 | 4.9 | 7500.0 | 2 |
| Thiopurine S-methyltransferase CHEMBL2500 | Kd | 5.0 | 5.0 | 10000.0 | 1 |
| tRNA (cytosine(38)-C(5))-methyltransferase CHEMBL4523124 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
| Genome polyprotein CHEMBL4523307 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | IC50 | 4.47 | 4.47 | 33710.0 | 1 |
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | IC50 | 4.34 | 4.22 | 46000.0 | 4 |
| Histone-lysine N-methyltransferase, H3 lysine-36 specific CHEMBL3588738 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
| Protein-L-isoaspartate(D-aspartate) O-methyltransferase CHEMBL4240 | Ki | 4.33 | 4.33 | 47000.0 | 1 |
| Histone-lysine N-methyltransferase NSD3 CHEMBL3108646 | IC50 | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine