Compound Detail
CHEMBL65620
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CC(C#N)C(=O)O)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL65620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTJFCMAGIDQVPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
0.02
ALogP
11
HBA
5
HBD
234.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 18.0 | nM | 7.75 | Ability to inhibit L1210 murine leukemia tumor cell growth in culture after 48 h... | 1992118 |
| Dihydrofolate reductase | IC50 | = | 57.0 | nM | 7.24 | Ability to inhibit purified Dihydrofolate reductase from human leukemic lymphobl... | 1992118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992118 | 10.1021/jm00105a031 | Dihydrofolate reductase | 1 |
| 1992118 | 10.1021/jm00105a031 | NON-PROTEIN TARGET | 1 |
| 1992118 | 10.1021/jm00105a031 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine