Compound Detail
CHEMBL84904
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Basic Information
| ChEMBL ID | CHEMBL84904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCOANCQEKIHPTN-LBPRGKRZSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
1.12
ALogP
9
HBA
6
HBD
201.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.35
Ki 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3972 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.98 | 6.14 | 105.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 | Ki | = | 38.0 | nM | 7.42 | Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART)... | 9258357 |
| CCRF-CEM | IC50 | = | 45.0 | nM | 7.35 | Tested for cell growth inhibition against CCRF-CEM a human lymphoblastic leukemi... | 9258357 |
| L1210 | IC50 | = | 105.0 | nM | 6.98 | Tested for cell growth inhibition against L1210 murine leukemia. | 9258357 |
| L1210 | IC50 | = | 5000.0 | nM | 5.3 | Tested for cell growth inhibition against L1210/CI920 cell line. | 9258357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258357 | 10.1021/jm9607459 | L1210 | 3 |
| 9258357 | 10.1021/jm9607459 | Trifunctional purine biosynthetic protein adenosine-3 | 1 |
| 9258357 | 10.1021/jm9607459 | CCRF-CEM | 1 |
| 9258357 | 10.1021/jm9607459 | Folylpolyglutamate synthase, mitochondrial | 1 |
| 9258357 | 10.1021/jm9607459 | Folate receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine