Compound Detail
CHEMBL538693
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Basic Information
| ChEMBL ID | CHEMBL538693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUSRAALGPJJIRO-QYVSTXNMSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
-0.89
ALogP
10
HBA
4
HBD
145.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Ki 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 7 CHEMBL3562175 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.8 | 4.47 | 15750.0 | 2 |
| DNA (cytosine-5)-methyltransferase 3B CHEMBL6095 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | Ki | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 7 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of full-length PRMT7 (unknown origin) expressed in Sf9 cells using bi... | 38359536 |
| Trypanosoma brucei brucei | IC50 | = | 15750.0 | nM | 4.8 | Antitrypanosomal activity against diamidine and melarsoprol-resistant bloodstrea... | 17954686 |
| DNA (cytosine-5)-methyltransferase 3B | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human recombinant DNMT3b2 | 19364644 |
| Trypanosoma brucei brucei | IC50 | = | 72500.0 | nM | 4.14 | Antitrypanosomal activity against pentamidine and melarsoprol-resistant bloodstr... | 17954686 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific | Ki | = | 100000.0 | nM | 4.0 | Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) usi... | 22924785 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific | Ki | = | 100000.0 | nM | 4.0 | Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine... | 23879463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17954686 | 10.1128/aac.00480-07 | Trypanosoma brucei brucei | 4 |
| 17954686 | 10.1128/aac.00480-07 | Unchecked | 2 |
| 35849534 | 10.1021/acs.jmedchem.2c00388 | tRNA (cytosine(38)-C(5))-methyltransferase | 2 |
| 19364644 | 10.1016/j.bmcl.2009.03.132 | DNA (cytosine-5)-methyltransferase 1 | 1 |
| 19364644 | 10.1016/j.bmcl.2009.03.132 | DNA (cytosine-5)-methyltransferase 3B | 1 |
| 22924785 | 10.1021/jm300917h | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
| 23879463 | 10.1021/jm4007752 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
| 25746813 | 10.1016/j.bmcl.2015.02.017 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 38359536 | 10.1016/j.ejmech.2024.116212 | Protein arginine N-methyltransferase 7 | 1 |
Data from ChEMBL 36 via Core Engine