Compound Detail
CHEMBL123980
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
C=CCC(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL123980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLSRYQSEIGFDBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
2.45
ALogP
8
HBA
5
HBD
194.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 9.0 | nM | 8.05 | Concentration required to inhibit the growth of L1210 cells. | 9022805 |
| NON-PROTEIN TARGET | IC50 | = | 11.0 | nM | 7.96 | Concentration required to inhibit the growth of chang liver cells. | 9022805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022805 | 10.1021/jm950553y | Mus musculus | 24 |
| 9022805 | 10.1021/jm950553y | L1210 | 1 |
| 9022805 | 10.1021/jm950553y | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine