Compound Detail
CHEMBL152172
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Basic Information
| ChEMBL ID | CHEMBL152172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOOBXXUWGKUQCV-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
-0.01
ALogP
9
HBA
6
HBD
222.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L cells CHEMBL612266 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Detroit 98 CHEMBL614059 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3972 | IC50 | 5.12 | 4.935 | 7600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L cells | IC50 | = | 18.0 | nM | 7.75 | Evaluated in vitro for ability to inhibit the L cell lines. | 2299624 |
| Detroit 98 | IC50 | = | 210.0 | nM | 6.68 | Evaluated in vitro for ability to inhibit the Detroit 98 cell lines | 2299624 |
| Trifunctional purine biosynthetic protein adenosine-3 | IC50 | = | 7600.0 | nM | 5.12 | Inhibition activity against Glycinamide ribonucleotide transformylase (GAR-TFase... | 2299624 |
| Trifunctional purine biosynthetic protein adenosine-3 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition activity against Glycinamide ribonucleotide transformylase (GAR-TFase... | 2299624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2299624 | 10.1021/jm00164a014 | Unchecked | 3 |
| 2299624 | 10.1021/jm00164a014 | C-1-tetrahydrofolate synthase, cytoplasmic | 3 |
| 2299624 | 10.1021/jm00164a014 | Trifunctional purine biosynthetic protein adenosine-3 | 2 |
| 2299624 | 10.1021/jm00164a014 | Bifunctional purine biosynthesis protein ATIC | 2 |
| 2299624 | 10.1021/jm00164a014 | Detroit 98 | 1 |
| 2299624 | 10.1021/jm00164a014 | L cells | 1 |
| 2299624 | 10.1021/jm00164a014 | Dihydrofolate reductase | 1 |
| 2299624 | 10.1021/jm00164a014 | Thymidylate synthase | 1 |
| 2299624 | 10.1021/jm00164a014 | Serine hydroxymethyltransferase, cytosolic | 1 |
| 2299624 | 10.1021/jm00164a014 | Methionine synthase | 1 |
Data from ChEMBL 36 via Core Engine