Compound Detail
CHEMBL267890
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Basic Information
| ChEMBL ID | CHEMBL267890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOKSNIJPDRLOBQ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
1.98
ALogP
8
HBA
6
HBD
187.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3690 | IC50 | 8.0 | 6.8667 | 10.0 | 3 |
| L1210 CHEMBL386 | IC50 | 7.24 | 7.24 | 57.2 | 1 |
| Dihydrofolate reductase CHEMBL2902 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Bifunctional purine biosynthesis protein ATIC CHEMBL2518 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of GAR transformylase from Lactobacillus casei | 3184124 |
| L1210 | IC50 | = | 57.2 | nM | 7.24 | Evaluated for cell growth inhibition of L1210 cells in cultures | 3184124 |
| Trifunctional purine biosynthetic protein adenosine-3 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of GAR transformylase from mammalian Manca | 3184124 |
| Trifunctional purine biosynthetic protein adenosine-3 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of GAR transformylase from mammalian L1210 cells | 3184124 |
| Dihydrofolate reductase | IC50 | = | 19000.0 | nM | 4.72 | Evaluated for inhibition of dihydrofolate reductase (DHFR) from Lactobacillus ca... | 3184124 |
| Bifunctional purine biosynthesis protein ATIC | IC50 | = | 20000.0 | nM | 4.7 | Compound was tested for inhibition of AICAR formyltransferase | 3184124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3184124 | 10.1021/jm00119a018 | Trifunctional purine biosynthetic protein adenosine-3 | 3 |
| 3184124 | 10.1021/jm00119a018 | Dihydrofolate reductase | 2 |
| 3184124 | 10.1021/jm00119a018 | L1210 | 2 |
| 3184124 | 10.1021/jm00119a018 | Thymidylate synthase | 1 |
| 3184124 | 10.1021/jm00119a018 | Bifunctional purine biosynthesis protein ATIC | 1 |
Data from ChEMBL 36 via Core Engine