Compound Detail
CHEMBL1170364
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
Basic Information
| ChEMBL ID | CHEMBL1170364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRTJEIUCUJMPGI-AUWJEWJLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
2.71
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 5.02 | 5.02 | 9630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 9630.0 | nM | 5.02 | Antiangiogenic activity in HUVEC after 96 hrs by MTT assay | 20974505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20392544 | 10.1016/j.ejmech.2010.03.023 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | ADMET | 2 |
| 20974505 | 10.1016/j.ejmech.2010.09.061 | ADMET | 2 |
| 21699179 | 10.1021/jm200242p | Unchecked | 2 |
| 20974505 | 10.1016/j.ejmech.2010.09.061 | HUVEC | 1 |
| 20974505 | 10.1016/j.ejmech.2010.09.061 | MCF7 | 1 |
| 20974505 | 10.1016/j.ejmech.2010.09.061 | A549 | 1 |
| 21699179 | 10.1021/jm200242p | Huh-7 | 1 |
| 21699179 | 10.1021/jm200242p | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine