Compound Detail
CHEMBL315627
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Basic Information
| ChEMBL ID | CHEMBL315627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPXDQPDLDPKBHG-VIFPVBQESA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
1.49
ALogP
10
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 7.21
Kd 1 meas. best 6.87
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3972 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| L1210 CHEMBL386 | IC50 | 7.12 | 5.745 | 75.0 | 2 |
| Folate receptor alpha CHEMBL2121 | Kd | 6.87 | 6.87 | 136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 | Ki | = | 32.0 | nM | 7.5 | Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART)... | 9258357 |
| CCRF-CEM | IC50 | = | 61.0 | nM | 7.21 | Tested for cell growth inhibition against CCRF-CEM a human lymphoblastic leukemi... | 9258357 |
| L1210 | IC50 | = | 75.0 | nM | 7.12 | Tested for cell growth inhibition against L1210 murine leukemia. | 9258357 |
| Folate receptor alpha | Kd | = | 136.0 | nM | 6.87 | compound was tested for the ability to function as transport substrates for the ... | 9258357 |
| L1210 | IC50 | = | 43000.0 | nM | 4.37 | 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