Compound Detail
CHEMBL307486
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Basic Information
| ChEMBL ID | CHEMBL307486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCLDSHDOWCMFBV-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
0.58
ALogP
9
HBA
5
HBD
207.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL202 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Manca CHEMBL614320 | IC50 | 8.0 | 8.0 | 9.9 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| H35R0.3 CHEMBL614160 | IC50 | 7.41 | 5.8033 | 39.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 8.8 | nM | 8.06 | Compound was tested for its inhibitory activity on Recombinant Human Dihydrofola... | 1992121 |
| Manca | IC50 | = | 9.9 | nM | 8.0 | Compound was tested for its inhibitory activity manca tumor cell growth | 1992121 |
| CCRF-CEM | IC50 | = | 13.0 | nM | 7.89 | Compound was tested for its inhibitory activity in tumor cell growth in CCRF-CEM... | 1992121 |
| H35R0.3 | IC50 | = | 39.0 | nM | 7.41 | Compound was tested for its inhibitory activity in tumor cell growth in H35 hepa... | 1992121 |
| H35R0.3 | IC50 | = | 5500.0 | nM | 5.26 | Compound was tested for inhibition of folinic acid transport in H35 Hepatoma cel... | 1992121 |
| H35R0.3 | IC50 | = | 18400.0 | nM | 4.74 | Compound was tested for its inhibitory activity in tumor cell growth in H35R cel... | 1992121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992121 | 10.1021/jm00105a035 | H35R0.3 | 4 |
| 1992121 | 10.1021/jm00105a035 | CCRF-CEM | 2 |
| 1992121 | 10.1021/jm00105a035 | Dihydrofolate reductase | 1 |
| 1992121 | 10.1021/jm00105a035 | Unchecked | 1 |
| 1992121 | 10.1021/jm00105a035 | Folylpolyglutamate synthase, mitochondrial | 1 |
| 1992121 | 10.1021/jm00105a035 | Manca | 1 |
Data from ChEMBL 36 via Core Engine