Compound Detail
CHEMBL1628717
DRAFLAZINE 🧪 Phase II
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🧪 Phase II
NC(=O)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL1628717 |
| Name | DRAFLAZINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IWMYIWLIESDFRZ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
14
Publications
7
Known Names
Molecular Properties
604.5
MW (Da)
5.27
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Ki 2 meas. best 9.55
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 CHEMBL1997 | Ki | 9.55 | 9.29 | 0.3 | 2 |
| Equilibrative nucleoside transporter 1 CHEMBL1997 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 | Ki | = | 0.28 | nM | 9.55 | Affinity Biochemical interaction: (inhibition of [3H]nitrobenzylthioinosine bind... | - |
| Equilibrative nucleoside transporter 1 | Ki | = | 0.94 | nM | 9.03 | Affinity Biochemical interaction: (radioligand binding assay, inhibition of [3H]... | - |
| Equilibrative nucleoside transporter 1 | IC50 | = | 5.3 | nM | 8.28 | Inhibition of the equilibrative nucleoside transporter (ENT1, SLC29A1) as assess... | 31551431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| - | 10.6019/CHEMBL5723035 | Equilibrative nucleoside transporter 1 | 2 |
| 31551431 | 10.1038/s41598-019-48829-3 | Equilibrative nucleoside transporter 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine